SCHEMBL16996636

SCHEMBL16996636

CCOc1cc(C2=C(c3ccsc3)C(c3cnn(C)c3)NC(=O)N2)cc(C(=O)O)c1O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 20/20 0.63
TACR3 P29371 2/20 0.56

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
SCHEMBL876525 0.91 ADH5 (0.63) ADH5TACR3
SCHEMBL1516242 0.91 ADH5 (0.63) ADH5TACR3
SCHEMBL876974 0.91 ADH5 (0.63) ADH5TACR3
SCHEMBL15965802 0.86 ADH5 (0.66) ADH5TACR3
SCHEMBL873520 0.81 ADH5 (0.77) ADH5TACR3
SCHEMBL872907 0.81 ADH5 (0.77) ADH5TACR3
SCHEMBL1515742 0.81 ADH5 (0.77) ADH5TACR3
SCHEMBL877153 0.79 ADH5 (0.78) ADH5TACR3
SCHEMBL1516314 0.77 ADH5 (0.59) ADH5TACR3
SCHEMBL877384 0.77 ADH5 (0.59) ADH5TACR3

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-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 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-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 ADH5 103/4885TACR3 500/4885

“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.