SCHEMBL1676177

SCHEMBL1676177

O=C(O)CNC(=O)Nc1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
S1PR5 Q9H228 1/20 0.40
GCGR P47871 4/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
KIF11 P52732 1/20 0.36
DGAT1 O75907 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
TRPM2 O94759 1/20 0.36
MMEL1 Q495T6 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL1676181 1.00 CNR1 (0.40) CNR1S1PR5GCGRLMNAMAPT
SCHEMBL1676129 0.93 CNR1 (0.39) CNR1S1PR5GCGRLMNAMAPT
SCHEMBL1676133 0.93 CNR1 (0.39) CNR1S1PR5GCGRLMNAMAPT
SCHEMBL1676269 0.91 HDAC1 (0.39) CNR1S1PR5GCGRMAPTSHMT1
SCHEMBL1676266 0.91 HDAC1 (0.39) CNR1S1PR5GCGRMAPTSHMT1
SCHEMBL1481397 0.88 S1PR5 (0.42) S1PR5GCGRTRPM2
SCHEMBL1481399 0.88 S1PR5 (0.42) S1PR5GCGRTRPM2
SCHEMBL1675998 0.88 S1PR5 (0.38) S1PR5GCGRKIF11DGAT1SLC1A3
SCHEMBL1675996 0.88 S1PR5 (0.38) S1PR5GCGRKIF11DGAT1SLC1A3
SCHEMBL5668692 0.88 S1PR5 (0.38) S1PR5GCGRSHMT1SHMT2TRPM2

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 6 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
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 3344/4885S1PR5 3261/4885GCGR 610/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CNR1 3344/4885S1PR5 3261/4885GCGR 610/4885

“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.