SCHEMBL8306021

SCHEMBL8306021

O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.63
▸ NPC1 O15118 8/20 0.63
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ LMNA P02545 3/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ TLR4 O00206 1/20 0.58
▸ TLR2 O60603 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ PKM P14618 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ F2 P00734 1/20 0.52

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
SCHEMBL11223073 0.88 MEN1 (0.75) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL11835490 0.85 NPC1 (0.57) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL2749120 0.85 ALDH1A1 (0.69) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL8212003 0.82 MEN1 (0.81) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL10090737 0.81 ALDH1A1 (0.78) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL5784706 0.81 ALDH1A1 (0.62) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL16318557 0.79 MAPT (0.71) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL15855148 0.79 ALDH1A1 (0.58) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL16318542 0.79 LMNA (0.56) MEN1KMT2ALMNAPOLBCTDSP1
SCHEMBL8303947 0.79 ALDH1A1 (0.71) RAB9ANPC1MEN1KMT2ALMNA

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-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
EP-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 — — 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 (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 RAB9A 867/4885NPC1 4650/4885MEN1 2080/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 RAB9A 2559/4885NPC1 275/4885MEN1 3942/4885

“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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