SCHEMBL1480464

SCHEMBL1480464

COc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3Cl)cn2CC(=O)NCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.53
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KLK7 P49862 1/20 0.40
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL1480466 1.00 CNR1 (0.53) CNR1NPC1ALDH1A1KDM4ETP53
SCHEMBL1481855 0.89 CNR1 (0.56) CNR1ALDH1A1KDM4ETP53MEN1
SCHEMBL1481859 0.89 CNR1 (0.56) CNR1ALDH1A1KDM4ETP53MEN1
SCHEMBL1480614 0.86 CNR1 (0.49) CNR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1480617 0.86 CNR1 (0.49) CNR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1480567 0.85 CNR1 (0.51) CNR1ALDH1A1KDM4ETP53MEN1
SCHEMBL1481109 0.85 CNR1 (0.51) CNR1ALDH1A1KDM4ETP53MEN1
SCHEMBL1480569 0.85 CNR1 (0.51) CNR1ALDH1A1KDM4ETP53MEN1
SCHEMBL1481105 0.85 CNR1 (0.51) CNR1ALDH1A1KDM4ETP53MEN1
SCHEMBL1480686 0.84 CNR1 (0.49) CNR1ALDH1A1TP53MEN1KMT2A

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-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-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 CNR1 3369/4885NPC1 3792/4885ALDH1A1 710/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ CNR1 3369/4885NPC1 3792/4885ALDH1A1 710/4885

“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.