SCHEMBL1368099

SCHEMBL1368099

COc1ccc2cc(C(=O)c3cc4ccc(OC)cc4sc3=O)c(=O)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
F12 P00748 3/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 3/20 0.44
SLC16A3 O15427 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
CA4 P22748 1/20 0.44
KDM4E B2RXH2 6/20 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
SCHEMBL1368967 0.88 CA2 (0.48) CA2NPC1RAB9AF12ALDH1A1
SCHEMBL1368496 0.83 SMN1; SMN2 (0.51) CA2NPC1RAB9AALDH1A1HPGD
SCHEMBL5813763 0.82 LMNA (0.39) CA2NPC1RAB9AF12ALDH1A1
SCHEMBL5813761 0.82 CA2 (0.37) CA2NPC1RAB9AF12ALDH1A1
SCHEMBL4344624 0.80 ABCG2 (0.57) RAB9AALDH1A1HPGDMAOBKDM4E
SCHEMBL1368033 0.80 ABCG2 (0.57) RAB9AALDH1A1HPGDMAOBKDM4E
SCHEMBL1368032 0.80 ABCG2 (0.57) RAB9AALDH1A1HPGDMAOBKDM4E
SCHEMBL1367949 0.77 ABCG2 (0.62) ALDH1A1HPGDMAOBKDM4ECYP3A4
SCHEMBL1367951 0.77 ABCG2 (0.62) ALDH1A1HPGDMAOBKDM4ECYP3A4
SCHEMBL1369587 0.77 ABCG2 (0.62) ALDH1A1HPGDMAOBKDM4ECYP3A4

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 CA2 3563/4885NPC1 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.