SCHEMBL1481637

SCHEMBL1481637

COC(=O)CCCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3CC(=O)NCc3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.42
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
RIPK1 Q13546 1/20 0.35
MARS1 P56192 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGES O14684 1/20 0.35
GCGR P47871 1/20 0.35
ENPP2 Q13822 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
SCHEMBL1482891 1.00 CNR1 (0.42) CNR1ALDH1A1TP53MEN1RECQL
SCHEMBL1481314 0.93 FFAR4 (0.43) CNR1ALDH1A1MEN1RECQLKMT2A
SCHEMBL1481318 0.93 FFAR4 (0.43) CNR1ALDH1A1MEN1RECQLKMT2A
SCHEMBL1480548 0.93 CNR1 (0.46) CNR1ALDH1A1TP53MEN1RECQL
SCHEMBL1480553 0.93 CNR1 (0.46) CNR1ALDH1A1TP53MEN1RECQL
SCHEMBL1481105 0.93 CNR1 (0.51) CNR1ALDH1A1TP53MEN1RECQL
SCHEMBL1481109 0.93 CNR1 (0.51) CNR1ALDH1A1TP53MEN1RECQL
SCHEMBL1483320 0.91 FFAR4 (0.39) CNR1FFAR1CYP2C9SCN5AFFAR4
SCHEMBL1483322 0.91 FFAR4 (0.39) CNR1FFAR1CYP2C9SCN5AFFAR4
SCHEMBL1481827 0.88 CNR1 (0.44) CNR1CYP2C9RIPK1MARS1MAPT

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 CNR1 3369/4885ALDH1A1 710/4885TP53 1088/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ CNR1 3369/4885ALDH1A1 710/4885TP53 1088/4885

“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.