SCHEMBL1365995

SCHEMBL1365995

O=C(/C=C\c1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
MCL1 Q07820 2/20 0.59
STAT3 P40763 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAOB P27338 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR35 Q9HC97 2/20 0.53

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
SCHEMBL1368435 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL31337550 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1365997 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1366075 0.92 MAOB (0.65) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1369137 0.92 MAOB (0.65) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1366077 0.92 MAOB (0.65) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL27092246 0.88 MAOB (0.77) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1366495 0.85 MAOA (0.57) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1367343 0.85 MAOA (0.57) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1366493 0.85 MAOA (0.57) ALDH1A1KDM4EKMT2AMEN1LMNA

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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 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 (1 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS ALDH1A1 617/4885KDM4E 2293/4885KMT2A 1726/4885

“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.