SCHEMBL5010660

SCHEMBL5010660

COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
ESR1 P03372 1/20 0.68
CA1 P00915 6/20 0.67
CA9 Q16790 6/20 0.67
CA2 P00918 3/20 0.67
CA4 P22748 2/20 0.67
CA12 O43570 3/20 0.66
POLB P06746 1/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
NPSR1 Q6W5P4 1/20 0.64
MET P08581 1/20 0.62
GFER P55789 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL12311922 0.94 ALDH1A1 (0.63) ALDH1A1ESR1CA1CA9CA2
SCHEMBL16127953 0.91 CA9 (0.69) ALDH1A1ESR1CA1CA9CA2
SCHEMBL17951022 0.90 ALDH1A1 (0.72) ALDH1A1ESR1CA1CA9CA2
SCHEMBL26227651 0.89 CA1 (0.61) ALDH1A1ESR1CA1CA9CA2
SCHEMBL12895855 0.89 MET (0.72) ALDH1A1ESR1CA1CA9CA2
SCHEMBL9564302 0.88 POLB (0.68) ALDH1A1CA1CA9CA2CA4
SCHEMBL9339007 0.88 CA9 (0.77) ALDH1A1CA1CA9CA2CA4
SCHEMBL4234750 0.86 CA9 (0.77) ALDH1A1CA1CA9CA2CA4
SCHEMBL9516311 0.86 HSD17B10 (0.77) ALDH1A1CA1CA9CA2CA4
SCHEMBL13044940 0.86 ALDH1A1 (0.67) ALDH1A1ESR1CA1CA9CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319098-B2 1,3-dioxoisoindole derivatives having selective antagonism of T-type calcium channel KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-15 US disclosed
US-20070259867-A1 1,3-DIOXOISOINDOLE DERIVATIVES HAVING SELECTIVE ANTAGONISM OF T-TYPE CALCIUM CHANNEL KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2007-11-08 US 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-20070259867-A1 1,3-DIOXOISOINDOLE DERIVATIVES HAVING SELECTIVE ANTAGONISM OF T-TYPE CALCIUM CHANNEL CACNA1I, CACNA1G, CACNA1H ALDH1A1 2648/4885ESR1 2464/4885CA1 636/4885

“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.