SCHEMBL1677237

SCHEMBL1677237

COC(=O)CNCc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.41
CNR2 P34972 2/20 0.41
EGFR P00533 1/20 0.37
MDM2 Q00987 1/20 0.36
ERBB2 P04626 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
DRD2 P14416 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL1676529 0.91 CNR1 (0.38) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676533 0.91 CNR1 (0.38) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1482424 0.88 DRD2 (0.46) CNR1CNR2EGFRDRD2HDAC1
SCHEMBL1482423 0.88 DRD2 (0.46) CNR1CNR2EGFRDRD2HDAC1
SCHEMBL1677239 0.87 CNR1 (0.37) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1677240 0.87 CNR1 (0.37) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676674 0.86 S1PR5 (0.35) ERBB2DRD2HDAC1POLBMAPT
SCHEMBL1676615 0.86 HDAC1 (0.38) CNR1CNR2DRD2HDAC1MAPT
SCHEMBL1676613 0.86 HDAC1 (0.38) CNR1CNR2DRD2HDAC1MAPT
SCHEMBL1676644 0.85 CNR1 (0.37) 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.