SCHEMBL4100748

SCHEMBL4100748

N=C(N)NC(=N)Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.42
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL16701880 0.98 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3068904 0.86 GAA (0.44) SMN1; SMN2ALDH1A1KMT2AHTTPOLB
SCHEMBL4100747 0.86 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11879308 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL31607070 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL30050422 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL173455 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29430234 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11839651 0.83 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11440667 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-11-23 US claimed
WO-2020232056-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-19 WO disclosed
US-10716771-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC CORPORATION FOUNDATION (KR) 2020-07-21 US disclosed
US-10716771-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC CORPORATION FOUNDATION (KR) 2020-07-21 US disclosed
US-20190328685-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-10-31 US disclosed
US-20190328685-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-10-31 US disclosed
US-10369121-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-08-06 US disclosed
US-10369121-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-08-06 US disclosed
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-11-23 US disclosed
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-11-23 US disclosed
CN-101253182-B Antimicrobial biguanide metal complexes SMITH & NEPHEW 2015-05-06 CN disclosed
WO-2015026215-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT 가톨릭대학교 산학협력단 (KR) 2015-02-26 WO disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20090123513-A1 Antimicrobial Biguanide Metal Complexes SMITH & NEPHEW PLC (GB) 2009-05-14 US disclosed
CN-101253182-A Antimicrobial biguanide metal complexes SMITH & NEPHEW (GB) 2008-08-27 CN disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090123513-A1 Antimicrobial Biguanide Metal Complexes GLMN, SOD1, MB RAB9A 2749/4885NPC1 3977/4885SMN1; SMN2 3460/4885
US-10716771-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient IL17A, TNF, IL2 RAB9A 2620/4885NPC1 4165/4885SMN1; SMN2 4821/4885
US-10369121-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient IL17A, TNF, IL2 RAB9A 2620/4885NPC1 4165/4885SMN1; SMN2 4821/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA RAB9A 2870/4885NPC1 4841/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885NPC1 4782/4885SMN1; SMN2 3724/4885
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 RAB9A 2620/4885NPC1 4165/4885SMN1; SMN2 4821/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885NPC1 4747/4885SMN1; SMN2 3508/4885
US-20190328685-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 RAB9A 2620/4885NPC1 4165/4885SMN1; SMN2 4821/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT RAB9A 1450/4885NPC1 4179/4885SMN1; SMN2 3800/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.