SCHEMBL4403129

SCHEMBL4403129

Cc1cc(=O)nc2sc(Cl)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 6/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL12292817 0.82 GRIA2 (0.40) CA12CA1CA2CA3CA4
SCHEMBL2445247 0.81 CA12 (0.39) CA12CA1CA2CA3CA4
SCHEMBL9677426 0.79 CA12 (0.41) CA12CA1CA2CA3CA4
SCHEMBL4468801 0.79 CA12 (0.38) CA12CA1CA2CA3CA4
SCHEMBL2673780 0.72 RAB9A (0.40) CA12CA1CA2CA3CA4
SCHEMBL368216 0.66 ITGA2B (0.47) KDM4EPOLBMAPTMEN1PKM
SCHEMBL4406466 0.63 ALDH1A1 (0.45) CA12CA1CA2CA3CA4
SCHEMBL2673777 0.62 NPC1 (0.48) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL4487742 0.60 ITGA2B (0.45) KDM4EPOLBMAPTMEN1PKM
SCHEMBL11003850 0.60 AHR (0.39) ALDH1A1KDM4EHSD17B10NPC1RAB9A

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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CA12 4105/4885CA1 4582/4885CA2 3400/4885

“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.