SCHEMBL1762228

SCHEMBL1762228

N#Cc1ccc(Nc2cccc(Br)c2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.51
MERTK Q12866 1/20 0.50
MAPT P10636 4/20 0.49
KAT2B Q92831 1/20 0.48
VCAM1 P19320 1/20 0.47
EGFR P00533 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HCAR3 P49019 1/20 0.44
KMT2A Q03164 1/20 0.44
WNK1 Q9H4A3 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP7 P55210 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 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 0.85 L3MBTL1 (0.62) LRRK2MERTKMAPTKAT2BVCAM1
SCHEMBL31519031 0.85 L3MBTL1 (0.62) LRRK2MERTKMAPTKAT2BVCAM1
SCHEMBL31519032 0.85 L3MBTL1 (0.62) LRRK2MERTKMAPTKAT2BVCAM1
SCHEMBL15984934 0.85 EGFR (0.55) MAPTEGFRL3MBTL1HCAR3WNK1
SCHEMBL11514562 0.85 KAT2B (0.51) LRRK2MERTKMAPTKAT2BVCAM1
SCHEMBL2649258 0.85 LRRK2 (0.51) LRRK2MERTKMAPTKAT2BVCAM1
SCHEMBL25295620 0.83 MERTK (0.64) LRRK2MERTKMAPTKAT2BVCAM1
SCHEMBL12415846 0.80 EGFR (0.51) MAPTKAT2BEGFRL3MBTL1LMNA
SCHEMBL2651270 0.80 LRRK2 (0.54) LRRK2MERTKMAPTKAT2BVCAM1
SCHEMBL4063056 0.79 TDP1 (0.68) LRRK2MAPTEGFRL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319837-B1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NEUROSEARCH AS (DK) 2012-10-31 EP disclosed
EP-2319837-B1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NEUROSEARCH AS (DK) 2012-10-31 EP disclosed
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 US disclosed
CN-101384559-B Benzimidazole derivatives and their use for modulating the GABA-A receptor complex NEUROSEARCH AS 2012-03-14 CN disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP disclosed
US-7902230-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-03-08 US disclosed
US-7902230-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-03-08 US disclosed
EP-2001855-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2010-11-03 EP disclosed
EP-2001855-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2010-11-03 EP disclosed
CN-101384559-A Benzimidazole derivatives and their use for modulating the GABA-A receptor complex NEUROSEARCH AS (DK) 2009-03-11 CN disclosed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 US disclosed
US-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2009-02-05 US disclosed
EP-2001855-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-12-17 EP disclosed
WO-2007110374-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-10-04 WO disclosed
WO-2007110374-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-10-04 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-20090036476-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 LRRK2 1031/4885MERTK 2172/4885MAPT 1558/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 LRRK2 1031/4885MERTK 2172/4885MAPT 1558/4885

“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.