SCHEMBL1676896

SCHEMBL1676896

COC(=O)CNc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.34
S1PR5 Q9H228 1/20 0.34
ICMT O60725 2/20 0.33
PTGDR Q13258 1/20 0.32
CNR2 P34972 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CNR1 P21554 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TRPM2 O94759 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
DPP4 P27487 1/20 0.32
GCGR P47871 2/20 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
SCHEMBL1676894 1.00 P2RX7 (0.34) P2RX7S1PR5ICMTPTGDRCNR2
SCHEMBL1676777 0.91 GCGR (0.38) S1PR5PTGDRMAPTDPP4GCGR
SCHEMBL1676779 0.91 GCGR (0.38) S1PR5PTGDRMAPTDPP4GCGR
SCHEMBL1676037 0.91 P2RX7 (0.32) P2RX7S1PR5ICMTCNR2GRIN1
SCHEMBL1676040 0.91 P2RX7 (0.32) P2RX7S1PR5ICMTCNR2GRIN1
SCHEMBL1481296 0.88 S1PR5 (0.38) S1PR5ICMTCNR2CNR1TRPM2
SCHEMBL1481297 0.88 S1PR5 (0.38) S1PR5ICMTCNR2CNR1TRPM2
SCHEMBL1676615 0.88 HDAC1 (0.38) S1PR5CNR2CNR1MAPTDPP4
SCHEMBL1676613 0.88 HDAC1 (0.38) S1PR5CNR2CNR1MAPTDPP4
SCHEMBL1676133 0.87 CNR1 (0.39) S1PR5CNR1MAPTGCGR

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 P2RX7 701/4885S1PR5 3261/4885ICMT 3509/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE P2RX7 701/4885S1PR5 3261/4885ICMT 3509/4885

“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.