SCHEMBL2276207

SCHEMBL2276207

N#Cc1ccc(Nc2cccnc2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.55
ALDH1A1 P00352 2/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
MERTK Q12866 1/20 0.49
KAT2B Q92831 1/20 0.47
VCAM1 P19320 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.43
HCAR3 P49019 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
POLB P06746 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
SCHEMBL13610400 0.84 L3MBTL1 (0.62) LRRK2ALDH1A1MAPTLMNAPKM
SCHEMBL31519031 0.84 L3MBTL1 (0.62) LRRK2ALDH1A1MAPTLMNAPKM
SCHEMBL31519032 0.84 L3MBTL1 (0.62) LRRK2ALDH1A1MAPTLMNAPKM
SCHEMBL14316100 0.81 ALDH1A1 (0.55) ALDH1A1MAPTLMNAPKML3MBTL1
SCHEMBL27252262 0.79 MERTK (0.57) LRRK2ALDH1A1MAPTLMNAPKM
SCHEMBL2651270 0.79 LRRK2 (0.54) LRRK2MAPTLMNAPKMMERTK
SCHEMBL31235692 0.79 LRRK2 (0.50) LRRK2ALDH1A1CYP11B1CYP11B2ALPL
SCHEMBL28606998 0.79 LRRK2 (0.50) LRRK2ALDH1A1CYP11B1CYP11B2ALPL
SCHEMBL2649258 0.79 LRRK2 (0.51) LRRK2ALDH1A1MAPTLMNAPKM
SCHEMBL11514562 0.79 KAT2B (0.51) LRRK2ALDH1A1MAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
EP-2358202-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 LRRK2 4817/4885ALDH1A1 854/4885MAPT 4800/4885

“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.