SCHEMBL1481111

SCHEMBL1481111

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.42
TBXA2R P21731 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NLRP3 Q96P20 2/20 0.41
IDH1 O75874 1/20 0.40
YTHDC1 Q96MU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1676626 0.96 SMN1; SMN2 (0.41) SMN1; SMN2DRD2TBXA2RCNR1CNR2
SCHEMBL1480956 0.93 DRD2 (0.42) SMN1; SMN2DRD2TBXA2RPOLBMAPT
SCHEMBL1481102 0.91 DRD2 (0.42) DRD2TBXA2RPOLBMAPTNLRP3
SCHEMBL1676879 0.90 SMN1; SMN2 (0.42) SMN1; SMN2CNR1CNR2POLBMAPT
SCHEMBL1481202 0.90 RAB9A (0.47) SMN1; SMN2CNR1CNR2POLB
SCHEMBL1676604 0.90 DRD2 (0.45) SMN1; SMN2DRD2TBXA2RCNR1POLB
SCHEMBL1676536 0.89 DRD2 (0.40) DRD2TBXA2RPOLBMAPTNLRP3
SCHEMBL1481000 0.87 DRD2 (0.41) DRD2TBXA2RPOLBMAPTNLRP3
SCHEMBL1676582 0.87 RAB9A (0.43) SMN1; SMN2POLB
SCHEMBL1677198 0.86 CNR1 (0.43) DRD2TBXA2RCNR1POLBMAPT

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 13 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
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO 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
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ SMN1; SMN2 4575/4885DRD2 4864/4885TBXA2R 1449/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE SMN1; SMN2 4417/4885DRD2 4873/4885TBXA2R 1613/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SMN1; SMN2 4417/4885DRD2 4873/4885TBXA2R 1613/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ SMN1; SMN2 4575/4885DRD2 4864/4885TBXA2R 1449/4885

“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.