SCHEMBL2314054

SCHEMBL2314054

O=C(NCc1cccs1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.70
▸ HPGD P15428 7/20 0.65
▸ HTT P42858 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ USP2 O75604 1/20 0.54
▸ MITF O75030 1/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ PKM P14618 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3650142 0.92 THRB (0.64) THRBHPGDHTTSMN1; SMN2TP53
SCHEMBL27807378 0.86 HPGD (0.76) THRBHPGDHTTTP53USP2
SCHEMBL2419952 0.82 THRB (0.74) THRBHPGDHTTSMN1; SMN2TP53
SCHEMBL8302813 0.79 SMN1; SMN2 (0.60) HPGDHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL2305026 0.76 HPGD (0.74) THRBHPGDHTTSMN1; SMN2USP2
SCHEMBL2319467 0.76 HPGD (0.64) THRBHPGDHTTSMN1; SMN2TP53
SCHEMBL11216056 0.75 CASP6 (0.57) HPGDHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8651240 0.74 ALDH1A1 (0.69) THRBHTTSMN1; SMN2TP53ALDH1A1
SCHEMBL606248 0.74 ALDH1A1 (0.80) HPGDHTTSMN1; SMN2TP53ALDH1A1
SCHEMBL2234130 0.74 HPGD (1.00) THRBHPGDHTTSMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183222-B1 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI SA (FR) 2011-08-03 — — EP disclosed
US-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 — — US disclosed
EP-2183222-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2010-05-12 — — EP disclosed
WO-2009024287-A2 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2009-02-26 — — 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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF CYP3A43, CYP11B1, CYP11B2 THRB 2903/4885HPGD 1178/4885HTT 1972/4885

“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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