SCHEMBL4100442

SCHEMBL4100442

N=C(N)NC(=N)Nc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 3/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
MAPK10 P53779 1/20 0.44
KCNH2 Q12809 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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 SCHEMBL16702701 0.98 IDO1 (0.50) IDO1MEN1KMT2ARAB9ATSHR
Hydrochloric Acid SCHEMBL28092299 0.92 MAPT (0.46) IDO1MEN1KMT2ARAB9ATSHR
SCHEMBL4100438 0.87 MEN1 (0.56) IDO1MEN1KMT2ARAB9ATSHR
SCHEMBL3443268 0.85 IDO1 (0.58) IDO1MEN1KMT2ARAB9ATSHR
SCHEMBL30753398 0.85 MEN1 (0.60) IDO1MEN1KMT2ARAB9ATSHR
SCHEMBL173527 0.85 MEN1 (0.60) IDO1MEN1KMT2ARAB9ATSHR
SCHEMBL8867312 0.82 IDO1 (0.64) IDO1MEN1KMT2ARAB9ATSHR
SCHEMBL4109332 0.82 EGFR (0.33) IDO1KMT2ARAB9AALDH1A1
SCHEMBL1741887 0.79 CYP1A2 (0.59) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL18763005 0.79 IDO1 (0.51) IDO1MEN1KMT2ARAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437685-B Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-12-23 CN claimed
CN-114437685-A Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-05-06 CN claimed
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 claimed
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
CN-114437685-B Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-12-23 CN disclosed
CN-114437685-A Degradable dynamic polymer plugging material and preparation method and application thereof 四川大学 2022-05-06 CN 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-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 IDO1 2026/4885MEN1 1438/4885KMT2A 3957/4885
US-10716771-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient IL17A, TNF, IL2 IDO1 99/4885MEN1 3499/4885KMT2A 4390/4885
US-10369121-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient IL17A, TNF, IL2 IDO1 99/4885MEN1 3499/4885KMT2A 4390/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA IDO1 18/4885MEN1 261/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 IDO1 348/4885MEN1 294/4885KMT2A 555/4885
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 IDO1 99/4885MEN1 3499/4885KMT2A 4390/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 IDO1 118/4885MEN1 237/4885KMT2A 949/4885
US-20190328685-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 IDO1 99/4885MEN1 3499/4885KMT2A 4390/4885
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 IDO1 20/4885MEN1 455/4885KMT2A 665/4885

“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.