SCHEMBL1368083

SCHEMBL1368083

O=C(c1cc2ccccc2sc1=O)n1c(=O)ccc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA9 Q16790 3/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
F12 P00748 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
KAT2B Q92831 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL7679158 0.76 CA12 (1.00) CA12CA9CA1CA2CA4
SCHEMBL1366682 0.74 CA12 (0.77) CA12CA9CA1CA2CA4
SCHEMBL28320396 0.74 KCNMA1 (0.44) CA12CA9CA1CA2CA4
SCHEMBL1366107 0.73 MAOB (0.60) CA12CA9CA1CA4CA5A
SCHEMBL30804587 0.73 RAB9A (0.56) CA12CA9BRD4BRPF1KAT2B
SCHEMBL6195893 0.73 RAB9A (0.56) CA12CA9BRD4BRPF1KAT2B
SCHEMBL6581393 0.72 CA12 (0.52) CA12CA9BRD4BRPF1KAT2B
SCHEMBL2292433 0.71 CA2 (0.72) CA12CA9CA1CA2CA4
SCHEMBL10662835 0.70 CA12 (0.53) CA12CA9BRD4BRPF1KAT2B
SCHEMBL7928220 0.70 CA12 (0.81) CA12CA9CA1CA2CA4

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
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 CA12 4005/4885CA9 3083/4885CA1 4493/4885

“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.