SCHEMBL8303947

SCHEMBL8303947

O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
CYP3A4 P08684 1/20 0.71
TSHR P16473 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
MEN1 O00255 10/20 0.69
KMT2A Q03164 10/20 0.69
GAA P10253 1/20 0.69
MAPT P10636 3/20 0.66
NPC1 O15118 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
RAB9A P51151 2/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 1/20 0.66
ALOX5 P09917 1/20 0.63
RECQL P46063 1/20 0.63
CASP6 P55212 1/20 0.60
LMNA P02545 1/20 0.59
AURKB Q96GD4 1/20 0.57
HCAR3 P49019 1/20 0.57
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL8306391 0.88 FFAR1 (0.65) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL11485510 0.87 MEN1 (0.68) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL1455286 0.87 KMT2A (0.90) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL11972772 0.87 MEN1 (0.90) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL6624180 0.87 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL2779018 0.87 KMT2A (0.68) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL359543 0.87 MEN1 (0.72) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL6647253 0.87 MEN1 (0.72) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL31546625 0.87 MAPT (0.69) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL11693391 0.87 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1MEN1

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-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP claimed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO claimed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
CN-1076352-C 5- (2-imidazolinylamino) benzimidazole derivatives, their preparation and their use as alpha-adrenoceptor agonists PROCTER & GAMBLE (US) 2001-12-19 CN disclosed
CN-1137794-A 5-(2-imidazolinylamino) benzimidazole derivatives, their preparation and their use as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 CN 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 (2 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 ALDH1A1 1202/4885CYP3A4 556/4885TSHR 3325/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 ALDH1A1 2738/4885CYP3A4 260/4885TSHR 1013/4885

“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.