SCHEMBL1482277

SCHEMBL1482277

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
MAPK10 P53779 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
ALPL P05186 1/20 0.39
USP2 O75604 1/20 0.39
NLRP3 Q96P20 1/20 0.38
YTHDC1 Q96MU7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL1482273 1.00 DRD2 (0.49) DRD2MAPTPOLBMAPK10ALDH1A1
SCHEMBL1676661 0.92 DRD2 (0.43) DRD2MAPTPOLBMAPK10GABRA2
SCHEMBL1676659 0.92 DRD2 (0.43) DRD2MAPTPOLBMAPK10GABRA2
SCHEMBL1480798 0.91 DRD2 (0.49) DRD2MAPTPOLBMAPK10ALDH1A1
SCHEMBL1480801 0.91 DRD2 (0.49) DRD2MAPTPOLBMAPK10ALDH1A1
SCHEMBL1676516 0.90 DRD2 (0.48) DRD2MAPTPOLBALPLNLRP3
SCHEMBL1676512 0.90 DRD2 (0.48) DRD2MAPTPOLBALPLNLRP3
SCHEMBL1482079 0.90 DRD2 (0.38) DRD2MAPTPOLBGABRA2GABRB2
SCHEMBL1482075 0.90 DRD2 (0.38) DRD2MAPTPOLBGABRA2GABRB2
SCHEMBL1676288 0.89 DRD2 (0.46) DRD2MAPTPOLBALPLNLRP3

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 8 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-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.