SCHEMBL2693379

SCHEMBL2693379

O=C(O)Cn1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
STAT1 P42224 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
EGLN3 Q9H6Z9 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3045527 0.93 FGFR1 (0.50) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3035802 0.93 FGFR1 (0.50) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2691958 0.88 FGFR1 (0.52) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14283222 0.88 FGFR1 (0.52) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6117596 0.81 FGFR1 (0.57) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3039454 0.79 FGFR1 (0.55) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4974452 0.79 KMT2A (0.47) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14291770 0.78 PTGS2 (0.49) SMN1; SMN2NPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL3042865 0.78 SMN1; SMN2 (0.53) FGFR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3037915 0.78 SMN1; SMN2 (0.53) FGFR1SMN1; SMN2ALDH1A1PKML3MBTL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 EP disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI FGFR1 1577/4885SMN1; SMN2 2297/4885NPC1 1202/4885
US-20100286202-A1 New Compounds REN, PCSK9, FURIN FGFR1 2361/4885SMN1; SMN2 3719/4885NPC1 24/4885

“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.