SCHEMBL1676529

SCHEMBL1676529

COC(=O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
EGFR P00533 1/20 0.37
MDM2 Q00987 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ERBB2 P04626 2/20 0.35
GCGR P47871 5/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ABCB1 P08183 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL1676533 1.00 CNR1 (0.38) CNR1CNR2EGFRMDM2FFAR1
SCHEMBL1676644 0.94 CNR1 (0.37) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676645 0.94 CNR1 (0.37) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676777 0.94 GCGR (0.38) ERBB2GCGRDRD2
SCHEMBL1676651 0.94 GCGR (0.37) CNR1CNR2EGFRMDM2GCGR
SCHEMBL1676655 0.94 GCGR (0.37) CNR1CNR2EGFRMDM2GCGR
SCHEMBL1676779 0.94 GCGR (0.38) ERBB2GCGRDRD2
SCHEMBL1676245 0.92 GCGR (0.39) CNR1CNR2EGFRMDM2FFAR1
SCHEMBL1676243 0.92 GCGR (0.39) CNR1CNR2EGFRMDM2FFAR1
SCHEMBL1677237 0.91 CNR1 (0.41) CNR1CNR2EGFRMDM2ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE CNR1 3344/4885CNR2 3387/4885EGFR 2135/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CNR1 3344/4885CNR2 3387/4885EGFR 2135/4885

“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.