SCHEMBL12590202

SCHEMBL12590202

CS(=O)(=O)Nc1ccc(N=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ KIF11 P52732 4/20 0.52
▸ HSD17B10 Q99714 2/20 0.50
▸ PGR P06401 1/20 0.48
▸ NR3C2 P08235 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL12054668 0.83 KEAP1 (0.75) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL31041151 0.77 KIF11 (0.79) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL10138647 0.76 KEAP1 (0.53) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
Lithium SCHEMBL31041154 0.75 KIF11 (0.76) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL1488032 0.75 ALDH1A1 (0.68) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL82733 0.75 CA1 (0.64) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL522309 0.75 KEAP1 (0.62) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL24689849 0.74 LMNA (0.66) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL3315266 0.73 KEAP1 (0.60) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL479173 0.73 KIF11 (0.88) KEAP1ALDH1A1SMN1; SMN2HTTLMNA

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-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 — — 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-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR KEAP1 439/4885ALDH1A1 449/4885SMN1; SMN2 4514/4885

“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.

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