SCHEMBL3681207

SCHEMBL3681207

Cc1[nH][c]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.32
ELANE P08246 1/20 0.31
CYP2A6 P11509 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7366765 0.74 GAA (0.34) AHRCYP1A2ALDH1A1
SCHEMBL2969026 0.73 ESR1 (0.41) ALDH1A1ELANECYP3A4MAPT
SCHEMBL6467371 0.71 CHRNB2 (0.33)
SCHEMBL6465925 0.69 CHRNB2 (0.45) ALDH1A1ATMELANE
SCHEMBL1027276 0.67 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL4738248 0.66
SCHEMBL12360750 0.62 AHR (0.52) AHRCYP1A2ALDH1A1ATMCYP2A6
SCHEMBL546371 0.62 CYP1A2 (0.42) AHRCYP1A2ALDH1A1ATMCYP2A6
SCHEMBL2336588 0.62 CYP1A2 (0.41) AHRCYP1A2ALDH1A1ATMCYP2A6
SCHEMBL293803 0.60 CYP1A2 (0.41) AHRCYP1A2ALDH1A1ATMCYP2A6

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
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP claimed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
EP-3458488-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS Bridgestone Corporation (JP) 2019-03-27 EP disclosed
WO-2017201397-A1 PROCESS FOR PRODUCING FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2017-11-23 WO disclosed
EP-2678327-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS Lupin Limited (IN) 2014-01-01 EP disclosed
WO-2012114285-A9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-10-18 WO disclosed
WO-2012114285-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-08-30 WO disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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 (1 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 AHR 1081/4885CYP1A2 103/4885ALDH1A1 846/4885

“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.