SCHEMBL7199106

SCHEMBL7199106

COC(=O)C1N2CC[N+]1(S(=O)(=O)c1ccc3c(c1)Cc1c-3[nH]c(=O)c3ccccc13)CC2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.54
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL13377702 0.74 PARP1 (0.77) PARP1CA1CA2CA4CA6
SCHEMBL7203370 0.72 PARP1 (0.67) PARP1
SCHEMBL13377548 0.71 PARP1 (0.77) PARP1CA1CA2CA4CA6
SCHEMBL8274291 0.71 PARP1 (0.77) PARP1CA1CA2CA4CA6
SCHEMBL29496073 0.71 PARP1 (0.77) PARP1CA1CA2CA4CA6
SCHEMBL2763098 0.71 PARP1 (0.77) PARP1CA1CA2CA4CA6
SCHEMBL14079328 0.71 PARP1 (0.62) PARP1CA1CA2CA4CA6
SCHEMBL7197461 0.71 PARP1 (0.54) PARP1
SCHEMBL13377549 0.69 PARP1 (0.56) PARP1
SCHEMBL2763788 0.69 PARP1 (0.65) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096833-A1 Substituted ideno[1,2-c]isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2003-05-22 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-20030096833-A1 Substituted ideno[1,2-c]isoquinoline derivatives and methods of use thereof UGT1A1, XPO1, IPO7 PARP1 833/4885CA1 4597/4885CA2 3994/4885

“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.