SCHEMBL640604

SCHEMBL640604

NC(=NO)c1ccc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.59
DAO P14920 1/20 0.48
HTT P42858 1/20 0.46
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 6/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
AHR P35869 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL640603 1.00 F2 (0.59) F2DAOHTTGSK3BALDH1A1
SCHEMBL15658920 0.76 F2 (0.52) F2DAOHTTGSK3BALDH1A1
SCHEMBL92875 0.75
SCHEMBL1688581 0.75
SCHEMBL24641151 0.74 CES2 (0.50) DAOGSK3BALDH1A1HPGDNPSR1
SCHEMBL247113 0.74 HTT (0.54) F2DAOHTTGSK3BALDH1A1
SCHEMBL5120775 0.74 CES2 (0.50) DAOGSK3BALDH1A1HPGDNPSR1
SCHEMBL641125 0.74 DAO (0.48) F2DAO
SCHEMBL14752289 0.74 DAO (0.48) DAOALDH1A1HPGDKDM4EMAPT
SCHEMBL14815168 0.74 HTT (0.54) F2DAOHTTGSK3BALDH1A1

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
CN-101932577-B Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2013-07-17 CN disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
CN-101932577-A Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2010-12-29 CN disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2 2525/4885DAO 3205/4885HTT 878/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2 2525/4885DAO 3205/4885HTT 878/4885

“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.