SCHEMBL1676563

SCHEMBL1676563

COC(=O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CTNNB1 P35222 5/20 0.34
TCF7L2 Q9NQB0 5/20 0.34
MDM2 Q00987 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
GCGR P47871 2/20 0.33
AGPAT2 O15120 1/20 0.33
EGFR P00533 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1676561 1.00 CNR1 (0.36) CNR1CNR2CTNNB1TCF7L2MDM2
SCHEMBL1676651 0.89 GCGR (0.37) CNR1CNR2MDM2GCGREGFR
SCHEMBL1676655 0.89 GCGR (0.37) CNR1CNR2MDM2GCGREGFR
SCHEMBL1676529 0.87 CNR1 (0.38) CNR1CNR2MDM2GCGREGFR
SCHEMBL1676533 0.87 CNR1 (0.38) CNR1CNR2MDM2GCGREGFR
SCHEMBL1676645 0.86 CNR1 (0.37) CNR1CNR2MDM2EGFR
SCHEMBL1676644 0.86 CNR1 (0.37) CNR1CNR2MDM2EGFR
SCHEMBL1676779 0.84 GCGR (0.38) GCGRNPSR1
SCHEMBL1676777 0.84 GCGR (0.38) GCGRNPSR1
SCHEMBL1676900 0.83 LMNA (0.36) CNR1CNR2SMN1; SMN2P2RX7EGFR

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 2 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
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 3387/4885CTNNB1 3642/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CNR1 3344/4885CNR2 3387/4885CTNNB1 3642/4885

“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.