SCHEMBL4097428

SCHEMBL4097428

N=C(N)NC(=N)Nc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
NAMPT P43490 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL4097426 0.86 RAB9A (0.53) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL4471234 0.85 RAB9A (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL11834939 0.85 RAB9A (0.39) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL4103672 0.85 KMT2A (0.56) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL11835118 0.85 NPC1 (0.47) RAB9ANPC1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL16701793 0.83 KMT2A (0.54) RAB9ANPC1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL21645501 0.83 F2 (0.39) RAB9ANPC1
SCHEMBL3068902 0.80 F2 (0.43) RAB9ANPC1ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL21645351 0.80 EGFR (0.34)
SCHEMBL3674744 0.79 ALDH1A1 (0.53) RAB9ANPC1KMT2AMEN1ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357795-A A kind of Biguanide derivative, pharmaceutical composition, preparation method and its application in preparation of anti-tumor drugs 湖南师范大学 2019-10-22 CN claimed
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-04-27 US claimed
CN-110357795-A A kind of Biguanide derivative, pharmaceutical composition, preparation method and its application in preparation of anti-tumor drugs 湖南师范大学 2019-10-22 CN disclosed
US-10100006-B2 Compound having immune disease treatment effect and use thereof THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-10-16 US disclosed
US-20180118668-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-05-03 US disclosed
US-20180118668-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-05-03 US disclosed
US-20180118668-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-05-03 US disclosed
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-04-27 US disclosed
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-04-27 US disclosed
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-04-27 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-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 (7 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA RAB9A 2870/4885NPC1 4841/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885NPC1 4782/4885KMT2A 555/4885
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF NFATC1, CD14, CD209 RAB9A 358/4885NPC1 1585/4885KMT2A 2342/4885
US-20180118668-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF NFATC1, CD14, CD209 RAB9A 358/4885NPC1 1585/4885KMT2A 2342/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885NPC1 4747/4885KMT2A 949/4885
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 4179/4885KMT2A 665/4885
US-10100006-B2 Compound having immune disease treatment effect and use thereof NFATC1, CD14, CD209 RAB9A 464/4885NPC1 1584/4885KMT2A 2372/4885

“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.