SCHEMBL433470

SCHEMBL433470

CNc1ccc(NS(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
HCAR3 P49019 1/20 0.51
POLB P06746 2/20 0.49
PKM P14618 1/20 0.49
ALDH3A1 P30838 6/20 0.46
MAPT P10636 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CDC25B P30305 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
RECQL P46063 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1530124 0.83 CYP3A4 (0.48) HTTPOLBPKMMAPTTDP1
SCHEMBL10534498 0.83 HTT (0.71) HTTHCAR3ALDH3A1MAPTTDP1
SCHEMBL5625355 0.79 FFAR4 (0.65) HTTPOLBPKMMAPTTDP1
SCHEMBL461513 0.79 ALDH1A1 (0.61) HTTALDH3A1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18687305 0.79 PARP1 (0.44) HTTPOLBPKMALDH3A1MAPT
SCHEMBL5499416 0.79 CA12 (0.54) POLBPKMMAPTTDP1SMN1; SMN2
SCHEMBL1530093 0.79 VCAM1 (0.56) HTTMAPTALDH1A1LMNA
SCHEMBL2245974 0.79 ALDH1A1 (0.61) HTTHCAR3POLBPKMALDH3A1
SCHEMBL3227243 0.78 ALDH1A1 (0.54) POLBPKMALDH3A1MAPTTDP1
SCHEMBL10954830 0.76 ALDH3A1 (0.50) HTTPOLBALDH3A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-28 US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 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-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B2, HSD11B2 HTT 4650/4885HCAR3 2125/4885POLB 2046/4885

“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.