SCHEMBL1366313

SCHEMBL1366313

O=C(/C=C\c1ccc(Cl)cc1)CC(=O)c1cc2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
PADI4 Q9UM07 1/20 0.42
BACE1 P56817 5/20 0.41
ALOX15 P16050 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAOB P27338 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTGS2 P35354 1/20 0.38
GLO1 Q04760 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
ESR1 P03372 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
SCHEMBL1366316 1.00 DAO (0.46) DAOPADI4BACE1ALOX15KDM4E
SCHEMBL1368303 1.00 DAO (0.46) DAOPADI4BACE1ALOX15KDM4E
SCHEMBL1368149 0.91 PADI4 (0.57) PADI4BACE1KDM4EMEN1MAPT
SCHEMBL1368142 0.91 PADI4 (0.57) PADI4BACE1KDM4EMEN1MAPT
SCHEMBL1368309 0.91 PADI4 (0.57) PADI4BACE1KDM4EMEN1MAPT
SCHEMBL1366679 0.90 PADI4 (0.55) PADI4KDM4EMEN1MAPTRAB9A
SCHEMBL1366680 0.90 PADI4 (0.55) PADI4KDM4EMEN1MAPTRAB9A
SCHEMBL1366757 0.90 PADI4 (0.55) PADI4KDM4EMEN1MAPTRAB9A
SCHEMBL5823424 0.89 MAOB (0.47) PADI4ALOX15KDM4EMEN1MAPT
SCHEMBL5823419 0.89 MAOB (0.47) PADI4ALOX15KDM4EMEN1MAPT

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 3402/4885PADI4 3091/4885BACE1 4687/4885

“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.