SCHEMBL1368285

SCHEMBL1368285

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CLK1 P49759 3/20 0.45
POLB P06746 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HDAC1 Q13547 1/20 0.43
MAPT P10636 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1365704 0.86 MEN1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1366631 0.84 USP2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1368496 0.83 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1366877 0.81 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1369671 0.80 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1366901 0.79 GSK3B (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1366899 0.79 GSK3B (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1368856 0.79 GSK3B (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1367737 0.79 MEN1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1368714 0.78 MAPT (0.60) RAB9ASMN1; SMN2ALDH1A1MEN1CYP3A4

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 NPC1 338/4885RAB9A 1991/4885SMN1; 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.