SCHEMBL1483641

SCHEMBL1483641

COc1ccc2cc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
CXCR2 P25025 2/20 0.38
AHR P35869 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NQO2 P16083 1/20 0.36
AMY1A P0DUB6 1/20 0.36
ALPL P05186 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1483642 1.00 RELA (0.41) RELAHSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL1480448 0.93 RELA (0.46) RELAHSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL1480451 0.93 RELA (0.46) RELAHSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL1480095 0.90 PIK3CA (0.46) RELAPIK3CAPIK3CBPIK3CGCXCR2
SCHEMBL1480097 0.90 PIK3CA (0.46) RELAPIK3CAPIK3CBPIK3CGCXCR2
SCHEMBL1481066 0.90 MAPT (0.44) RELAPIK3CAPIK3CBPIK3CGCXCR2
SCHEMBL1481070 0.90 MAPT (0.44) RELAPIK3CAPIK3CBPIK3CGCXCR2
SCHEMBL1481149 0.87 MEN1 (0.40) RELAHSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL1481153 0.87 MEN1 (0.40) RELAHSP90AA1HSP90AB1PIK3CAPIK3CB
SCHEMBL1480844 0.87 RELA (0.41) RELAHSP90AA1HSP90AB1BACE1MAPT

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-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
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

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 RELA 3971/4885HSP90AA1 2523/4885HSP90AB1 2056/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE RELA 4243/4885HSP90AA1 3076/4885HSP90AB1 2732/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE RELA 4243/4885HSP90AA1 3076/4885HSP90AB1 2732/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ RELA 3971/4885HSP90AA1 2523/4885HSP90AB1 2056/4885

“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.