SCHEMBL1365704

SCHEMBL1365704

COc1ccc(CC(=O)c2cc3cc(Cl)ccc3sc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CLK1 P49759 2/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CCR2 P41597 1/20 0.44
CNR2 P34972 1/20 0.43
NPY5R Q15761 1/20 0.42

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
SCHEMBL1367737 0.91 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1368285 0.86 NPC1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1366631 0.84 USP2 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1368496 0.83 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1369671 0.80 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1367654 0.79 GSK3B (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1366394 0.79 GSK3B (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1366396 0.79 GSK3B (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1367470 0.79 PIK3CA (0.38) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1370632 0.78 PIK3CA (0.47) MEN1KMT2ANPC1RAB9ACYP3A4

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 MEN1 1108/4885KMT2A 1726/4885SMN1; SMN2 4848/4885

“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.