SCHEMBL20377309

SCHEMBL20377309

COOCc1no[n+]([O-])c1C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 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
SCHEMBL20377316 0.79
SCHEMBL13685915 0.72
SCHEMBL13055305 0.71 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL18405792 0.69 GLA (0.39) CA12CA1CA2CA9
SCHEMBL14000571 0.69 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL14000536 0.69 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL18405793 0.66 GLA (0.36) CA12CA1CA2CA9
SCHEMBL4890325 0.64
SCHEMBL10002291 0.60 CA12 (0.56) CA12CA1CA2CA9
SCHEMBL2079547 0.59 GLA (0.58) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2019-10-29 US disclosed
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2018-09-06 US disclosed
EP-3348548-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-07-18 EP 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 (2 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-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines PTGIS, NOS1, NOS2 CA12 4502/4885CA1 4155/4885CA2 1178/4885
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE NOS1, NOS2, PTGIS CA12 4248/4885CA1 3523/4885CA2 1645/4885

“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.