SCHEMBL1368030

SCHEMBL1368030

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
GMNN O75496 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL1368031 1.00 GSK3B (0.53) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1368434 1.00 GSK3B (0.53) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1366396 0.92 GSK3B (0.53) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1366394 0.92 GSK3B (0.53) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1367654 0.92 GSK3B (0.53) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1368218 0.92 GSK3B (0.58) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1368264 0.92 GSK3B (0.58) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1368220 0.92 GSK3B (0.58) GSK3BMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1368082 0.88 GSK3B (0.53) GSK3BMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1369279 0.88 GSK3B (0.53) GSK3BMAPTSMN1; SMN2RAB9ANPC1

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 4183/4885MAPT 4718/4885ALDH1A1 617/4885

“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.