SCHEMBL1481936

SCHEMBL1481936

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2-c2ccc(-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NLRP3 Q96P20 2/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALPL P05186 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 2/20 0.41
YTHDC1 Q96MU7 1/20 0.40

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
SCHEMBL1676555 0.99 DRD2 (0.47) DRD2TBXA2RMAPTPOLBNPC1
SCHEMBL1676403 0.91 GABRA2 (0.51) DRD2TBXA2RMAPTPOLBNPC1
SCHEMBL1676348 0.91 NPC1 (0.55) DRD2TBXA2RMAPTPOLBNPC1
SCHEMBL1481331 0.89 NPC1 (0.46) DRD2TBXA2RMAPTPOLBNPC1
SCHEMBL1676604 0.89 DRD2 (0.45) DRD2TBXA2RMAPTPOLBNPC1
SCHEMBL1481919 0.88 NPC1 (0.52) MAPTNPC1RAB9APTGS1PTGS2
SCHEMBL1676516 0.88 DRD2 (0.48) DRD2TBXA2RMAPTPOLBNLRP3
SCHEMBL1676512 0.88 DRD2 (0.48) DRD2TBXA2RMAPTPOLBNLRP3
SCHEMBL1676397 0.88 DRD2 (0.44) DRD2TBXA2RMAPTPOLBNPC1
SCHEMBL1676770 0.87 NPC1 (0.44) DRD2TBXA2RMAPTPOLBNPC1

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 DRD2 4864/4885TBXA2R 1449/4885MAPT 3558/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE DRD2 4873/4885TBXA2R 1613/4885MAPT 3251/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885TBXA2R 1613/4885MAPT 3251/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DRD2 4864/4885TBXA2R 1449/4885MAPT 3558/4885

“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.