SCHEMBL1676645

SCHEMBL1676645

COC(=O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
EGFR P00533 1/20 0.36
LMNA P02545 2/20 0.36
MDM2 Q00987 1/20 0.35
ERBB2 P04626 2/20 0.35
NR3C1 P04150 1/20 0.34
P2RX3 P56373 4/20 0.34
TLR8 Q9NR97 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
PTPN1 P18031 1/20 0.33
NPBWR1 P48145 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL1676644 1.00 CNR1 (0.37) CNR1CNR2EGFRLMNAMDM2
SCHEMBL1676529 0.94 CNR1 (0.38) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676533 0.94 CNR1 (0.38) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676947 0.93 P2RX3 (0.34) CNR1P2RX3PTPN1MEN1KMT2A
SCHEMBL1676946 0.93 P2RX3 (0.34) CNR1P2RX3PTPN1MEN1KMT2A
SCHEMBL1676897 0.93 EGFR (0.37) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676898 0.93 EGFR (0.37) CNR1CNR2EGFRMDM2ERBB2
SCHEMBL1676651 0.89 GCGR (0.37) CNR1CNR2EGFRMDM2
SCHEMBL1676655 0.89 GCGR (0.37) CNR1CNR2EGFRMDM2
SCHEMBL1676779 0.88 GCGR (0.38) ERBB2P2RX3MAPT

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 3387/4885EGFR 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.