SCHEMBL1368530

SCHEMBL1368530

O=C(CC(=O)c1cc2cc(I)ccc2sc1=O)c1cc2cc(I)ccc2sc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
DRD3 P35462 2/20 0.35
CTRC Q99895 1/20 0.33
CLK1 P49759 3/20 0.32
DYRK1A Q13627 3/20 0.32
DYRK1B Q9Y463 3/20 0.32

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
SCHEMBL1368675 0.87 CA12 (0.47) CA2CA12CA1CA4CA5A
SCHEMBL1366815 0.81 LMNA (0.48) CA2CA12CA1CA4CA5A
SCHEMBL1368096 0.81 CA12 (0.45) CA2CA12CA1CA4CA5A
SCHEMBL1367496 0.77 GSK3B (0.53) HDAC1HDAC2
SCHEMBL1367493 0.77 GSK3B (0.53) HDAC1HDAC2
SCHEMBL1366142 0.72 CA2 (0.46) CA2CA12CA1CA4CA5A
SCHEMBL830440 0.70 CA2 (0.33) CA2CA12CA1CA4CA5A
SCHEMBL1368479 0.70 TSHR (0.51) CA2CA12CA1CA4CA5A
SCHEMBL831026 0.70 CTRC (0.33) CA2CTRC
SCHEMBL8079606 0.69 BCL2L1 (0.59) CLK1DYRK1ADYRK1BPTPN2HDAC1

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 CA2 3563/4885CA12 4005/4885CA1 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.