SCHEMBL1369662

SCHEMBL1369662

Nc1cc(/C=C/C(=O)CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.40
▸ BACE1 P56817 7/20 0.37
▸ PADI4 Q9UM07 2/20 0.36
▸ ALOX15 P16050 4/20 0.35
▸ ESR1 P03372 2/20 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
SCHEMBL1366903 1.00 DAO (0.40) DAOBACE1PADI4ALOX15ESR1
SCHEMBL1366905 1.00 DAO (0.40) DAOBACE1PADI4ALOX15ESR1
SCHEMBL1368303 0.88 DAO (0.46) DAOBACE1PADI4ALOX15ESR1
SCHEMBL1366316 0.88 DAO (0.46) DAOBACE1PADI4ALOX15ESR1
SCHEMBL1366313 0.88 DAO (0.46) DAOBACE1PADI4ALOX15ESR1
SCHEMBL1366668 0.85 BACE1 (0.45) DAOBACE1
SCHEMBL1369129 0.85 BACE1 (0.45) DAOBACE1
SCHEMBL1366670 0.85 BACE1 (0.45) DAOBACE1
SCHEMBL1367272 0.82 BACE1 (0.46) DAOBACE1
SCHEMBL1367270 0.82 BACE1 (0.46) DAOBACE1

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 DAO 3402/4885BACE1 4687/4885PADI4 3091/4885

“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.

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