SCHEMBL4821930

SCHEMBL4821930

Cc1c(C(=O)O)cnn1-c1nc(-c2cccc(Cl)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
MAPK1 P28482 1/20 0.57
PTGER4 P35408 1/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
CRHBP P24387 1/20 0.54
MC4R P32245 1/20 0.54
CRHR2 Q13324 1/20 0.54
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
SPR P35270 1/20 0.52
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL12875489 0.89 KDM4E (0.60) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL12875465 0.87 RAB9A (0.63) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL12875461 0.87 KDM4E (0.58) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL12875487 0.87 KDM4E (0.76) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL12875511 0.87 KDM4E (0.64) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL12875498 0.86 RAB9A (0.71) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL1198595 0.86 MEN1 (0.72) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL14196468 0.85 RAB9A (0.60) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL14196464 0.85 MEN1 (0.57) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL1198783 0.84 ITGB2 (0.71) KDM4EALDH1A1RAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-7358267-B2 Bis-aryl thiazole derivatives AMGEN INC. (US) 2008-04-15 US disclosed
US-20050215608-A1 Bis-aryl thiazole derivatives AMGEN INC. 2005-09-29 US disclosed
WO-2003002062-A2 BIS-ARYL THIAZOLE DERIVATIVES TULARIK INC. (US) 2003-01-09 WO 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4E 1877/4885ALDH1A1 1037/4885RAB9A 2507/4885
US-20050215608-A1 Bis-aryl thiazole derivatives FABP4, PC, TXNRD2 KDM4E 3696/4885ALDH1A1 842/4885RAB9A 3062/4885

“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.