SCHEMBL1481328

SCHEMBL1481328

COc1ccc(C=Cc2nc(-c3ccc(Cl)cc3)c(-c3ccc(C)cc3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.49
NOX1 Q9Y5S8 1/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AHR P35869 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
MAPK14 Q16539 3/20 0.40
TP53 P04637 2/20 0.40
SMPD3 Q9NY59 2/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
PDE10A Q9Y233 1/20 0.40
RAF1 P04049 1/20 0.40
GCGR P47871 2/20 0.40
ALOX5 P09917 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
SCHEMBL1481326 1.00 RELA (0.49) RELANOX1MAPTKDM4EALDH1A1
SCHEMBL30713348 0.83 MAPT (0.54) NOX1MAPTKDM4EALDH1A1MAPK14
SCHEMBL1481507 0.75 CYP19A1 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2MAPK14
SCHEMBL1481508 0.75 CYP19A1 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2MAPK14
SCHEMBL6464698 0.74 NOX1 (0.74) NOX1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5441279 0.73 NOX1 (0.52) NOX1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5492879 0.71 AHR (0.74) RELAKDM4EALDH1A1SMN1; SMN2AHR
SCHEMBL18416525 0.71 AHR (0.74) RELAKDM4EALDH1A1SMN1; SMN2AHR
SCHEMBL5492873 0.71 AHR (0.74) RELAKDM4EALDH1A1SMN1; SMN2AHR
SCHEMBL7087385 0.71 PTGS2 (0.61) ALDH1A1

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 4 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
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 RELA 3971/4885NOX1 83/4885MAPT 3558/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ RELA 3971/4885NOX1 83/4885MAPT 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.