SCHEMBL12557002

SCHEMBL12557002

Cc1cc(NS(N)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KIF11 P52732 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL3227243 0.85 ALDH1A1 (0.54) CA1CA2ALDH1A1GAASMN1; SMN2
SCHEMBL9440573 0.85 CA1 (0.61) CA1CA2ALDH1A1GAASMN1; SMN2
SCHEMBL28760524 0.84 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL1828950 0.80 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL9136568 0.78 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL10383134 0.77 VCAM1 (0.61) CA1CA2GAAKIF11MAPT
SCHEMBL27568067 0.77 CA1 (0.61) CA1CA2ALDH1A1GAASMN1; SMN2
SCHEMBL11144552 0.76 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL28114517 0.76 ALDH1A1 (0.62) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL1976452 0.74 CA1 (0.57) CA1CA2ALDH1A1KIF11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO 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-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CA1 4697/4885CA2 4299/4885ALDH1A1 449/4885

“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.