SCHEMBL6674034

SCHEMBL6674034

Cc1ccc(-c2ccc(=O)[nH]c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAP4K4 O95819 1/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL82309 0.80
SCHEMBL694974 0.79 MAPT (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
Biphenyl SCHEMBL27458465 0.78 NOTUM (0.44) LMNAALDH1A1KDM4EMAPTTHRB
SCHEMBL31019611 0.78
SCHEMBL11158919 0.78 SOS1 (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11161344 0.77 ERCC1 (0.53) ALDH1A1MAPTPDGFRBPDGFRAMAP4K4
SCHEMBL11166857 0.77 ALDH1A1 (0.67) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL10889799 0.77 ESR1 (0.50) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8305924 0.77 MAP4K4 (0.57) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL10888011 0.77 ALDH1A1 (0.50) MEN1KMT2ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921358-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2013-08-08 US disclosed
US-8461163-B2 Substituted N-(pyrazolo[1,5-a]pyrimidin-5-yl)amides as inhibitors of apoptosis signal-regulating kinase 1 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
EP-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 US disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 EP disclosed
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 US 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 (2 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-20130203731-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MEN1 3266/4885KMT2A 4108/4885LMNA 1347/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MEN1 3290/4885KMT2A 4048/4885LMNA 1303/4885

“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.