SCHEMBL1366680

SCHEMBL1366680

O=C(C=Cc1ccc(Cl)cc1)CC(=O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 2/20 0.55
ESR1 P03372 6/20 0.47
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43

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
SCHEMBL1366757 1.00 PADI4 (0.55) PADI4ESR1MGAMGAASI
SCHEMBL1366679 1.00 PADI4 (0.55) PADI4ESR1MGAMGAASI
SCHEMBL1366313 0.90 DAO (0.46) PADI4ESR1KDM4EMAPTRAB9A
SCHEMBL1368303 0.90 DAO (0.46) PADI4ESR1KDM4EMAPTRAB9A
SCHEMBL1366316 0.90 DAO (0.46) PADI4ESR1KDM4EMAPTRAB9A
SCHEMBL1366173 0.86 PADI4 (0.76) PADI4ESR1GAAKDM4EMAPT
SCHEMBL1365750 0.86 PADI4 (0.76) PADI4ESR1GAAKDM4EMAPT
SCHEMBL1365749 0.86 PADI4 (0.76) PADI4ESR1GAAKDM4EMAPT
SCHEMBL1367938 0.86 PADI4 (0.72) PADI4ESR1MGAMGAASI
SCHEMBL1366588 0.86 PADI4 (0.72) PADI4ESR1MGAMGAASI

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 5 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
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 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 PADI4 3091/4885ESR1 3803/4885MGAM 2302/4885

“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.