SCHEMBL1481332

SCHEMBL1481332

COc1cccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.43
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
XDH P47989 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RELA Q04206 1/20 0.39
BACE1 P56817 1/20 0.39
CXCR2 P25025 1/20 0.39
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 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
SCHEMBL1481330 1.00 ALDH1A3 (0.43) ALDH1A3DPP4DPP8DPP9PIK3CA
SCHEMBL1481066 0.91 MAPT (0.44) DPP4DPP8DPP9PIK3CAPIK3CB
SCHEMBL1481070 0.91 MAPT (0.44) DPP4DPP8DPP9PIK3CAPIK3CB
SCHEMBL1480095 0.89 PIK3CA (0.46) DPP4DPP8DPP9PIK3CAPIK3CB
SCHEMBL1480097 0.89 PIK3CA (0.46) DPP4DPP8DPP9PIK3CAPIK3CB
SCHEMBL1481234 0.87 PTGES (0.38) XDHBACE1GCGRADORA2AADORA1
SCHEMBL1481232 0.87 PTGES (0.38) XDHBACE1GCGRADORA2AADORA1
SCHEMBL1480451 0.87 RELA (0.46) DPP4PIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1480448 0.87 RELA (0.46) DPP4PIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1480766 0.86 PTGES (0.44) DPP4MAPTKDM4EBACE1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US 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
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 (2 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 ALDH1A3 787/4885DPP4 132/4885DPP8 144/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ ALDH1A3 787/4885DPP4 132/4885DPP8 144/4885

“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.