SCHEMBL1900659

SCHEMBL1900659

N#Cc1c(Cl)cc(O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
AR P10275 2/20 0.43
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
BACE1 P56817 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL16177628 0.84 TRPV4 (0.43) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL27367025 0.84 CYP3A4 (0.48) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL952362 0.78 ALDH1A1 (0.45) CYP3A4HSD17B10HPGDMEN1ALDH1A1
SCHEMBL15850516 0.76 VCAM1 (0.40) CYP3A4HPGDARMEN1ALDH1A1
SCHEMBL1630139 0.74 NMT1 (0.38) CYP3A4HPGDMEN1ALDH1A1MAPT
SCHEMBL6416771 0.74 ALDH1A1 (0.38) CYP3A4HSD17B10HPGDMEN1ALDH1A1
SCHEMBL21064821 0.74 TRPV4 (0.41) CYP3A4HSD17B10HPGDMEN1ALDH1A1
SCHEMBL21305046 0.74 ALDH1A1 (0.38) CYP3A4HPGDMEN1ALDH1A1MAPT
SCHEMBL1810815 0.74 CYP3A4 (0.50) CYP3A4HPGDMEN1ALDH1A1MAPT
SCHEMBL1811343 0.74 ALDH1A1 (0.38) CYP3A4HPGDMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4282355-A None JP disclosed
US-20150259327-A1 Chemical Compounds PFIZER LIMITED (GB) 2015-09-17 US disclosed
US-9067922-B2 Chemical compounds PFIZER LIMITED (GB) 2015-06-30 US disclosed
WO-2014170792-A1 SULFONAMIDE DERIVATIVES AS URAT-1 INHIBITORS PFIZER LIMITED (GB) 2014-10-23 WO disclosed
US-20140315878-A1 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2014-10-23 US disclosed
US-20110112264-A1 PROCESS FOR PRODUCING POLYMERIZATION CATALYST OF ALKYLENE OXIDE AND POLY(ALKYLENE OXIDE) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20100280197-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER TAKAOKI KAZUO 2010-11-04 US disclosed
US-20030069127-A1 Modified particle,support, catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2003-04-10 US disclosed
EP-1275662-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-15 EP disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
JP-H04282355-A DICHLORO CYANO COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT SEIMI CHEM KK 1992-10-07 JP 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-20150259327-A1 Chemical Compounds SULT2A1, SULT1A1, SULT1E1 CYP3A4 1604/4885HSD17B10 2398/4885HPGD 4483/4885
US-20140315878-A1 CHEMICAL COMPOUNDS SULT2A1, SULT1A1, SULT1E1 CYP3A4 1604/4885HSD17B10 2398/4885HPGD 4483/4885

“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.