SCHEMBL1368079

SCHEMBL1368079

COc1ccc(/C=C/C(=O)CC(=O)c2cc3ccc(I)cc3sc2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
BACE1 P56817 5/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PADI4 Q9UM07 1/20 0.41
F3 P13726 1/20 0.40
MAPT P10636 4/20 0.40
APP P05067 3/20 0.40
ACHE P22303 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
NFE2L2 Q16236 1/20 0.39
TOP2A P11388 1/20 0.39

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
SCHEMBL1369279 1.00 GSK3B (0.53) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1368082 1.00 GSK3B (0.53) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1370247 0.92 GSK3B (0.53) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1367496 0.92 GSK3B (0.53) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1367493 0.92 GSK3B (0.53) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1368218 0.92 GSK3B (0.58) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1368264 0.92 GSK3B (0.58) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1368220 0.92 GSK3B (0.58) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1368031 0.88 GSK3B (0.53) GSK3BRAB9ANPC1BACE1HDAC3
SCHEMBL1368434 0.88 GSK3B (0.53) GSK3BRAB9ANPC1BACE1HDAC3

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
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 GSK3B 4183/4885RAB9A 1991/4885NPC1 338/4885

“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.