SCHEMBL1482391

SCHEMBL1482391

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccc(C(=O)OC)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
PLAU P00749 2/20 0.43
NLRP3 Q96P20 2/20 0.39
TBXA2R P21731 2/20 0.39
MGLL Q99685 1/20 0.39
DHFR P00374 1/20 0.39
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HSD17B3 P37058 1/20 0.37

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
SCHEMBL1482394 1.00 DRD2 (0.48) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1481631 0.96 DRD2 (0.46) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1481629 0.96 DRD2 (0.46) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1481341 0.93 DRD2 (0.46) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1481338 0.93 DRD2 (0.46) DRD2MAPTPOLBPLAUNLRP3
Methane SCHEMBL1677089 0.92 DRD2 (0.46) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1676690 0.92 DRD2 (0.41) DRD2MAPTPOLBPLAUMGLL
SCHEMBL1676687 0.92 DRD2 (0.41) DRD2MAPTPOLBPLAUMGLL
SCHEMBL1676873 0.91 PLAU (0.41) DRD2MAPTPOLBPLAUMGLL
SCHEMBL1676875 0.91 PLAU (0.41) DRD2MAPTPOLBPLAUMGLL

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 12 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-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 4864/4885MAPT 3558/4885POLB 4328/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE DRD2 4873/4885MAPT 3251/4885POLB 4497/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885MAPT 3251/4885POLB 4497/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DRD2 4864/4885MAPT 3558/4885POLB 4328/4885

“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.