SCHEMBL1369671

SCHEMBL1369671

COc1ccc(CC(=O)c2cc3ccc(O)cc3sc2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
ATM Q13315 1/20 0.61
HSP90AA1 P07900 1/20 0.49
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
HDAC1 Q13547 1/20 0.46
SULT1A1 P50225 1/20 0.44
HTT P42858 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
PKM P14618 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ESR1 P03372 1/20 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
SCHEMBL1368496 0.91 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1367737 0.87 MEN1 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1366631 0.85 USP2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1368285 0.80 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1365704 0.80 MEN1 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1368967 0.78 CA2 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1367154 0.77 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1368349 0.77 MEN1 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1366142 0.77 CA2 (0.46) HDAC1ESR1ESR2
SCHEMBL830672 0.76 SULT1A1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 4848/4885NPC1 338/4885RAB9A 1991/4885

“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.