SCHEMBL2652766

SCHEMBL2652766

O=[N+]([O-])c1cc(CO)ccc1Nc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.47
EGFR P00533 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
AKR1C4 P17516 4/20 0.45
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
AKR1C1 Q04828 4/20 0.45
MAPT P10636 3/20 0.45
AKR1B1 P15121 2/20 0.45
AKR1B10 O60218 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 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

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
SCHEMBL1668167 0.86 EGFR (0.46) HCAR3EGFRL3MBTL1AKR1C4AKR1C3
SCHEMBL2032839 0.85 HCAR3 (0.63) HCAR3L3MBTL1AKR1C4AKR1C3AKR1C2
SCHEMBL15984934 0.85 EGFR (0.55) HCAR3EGFRL3MBTL1AKR1C4AKR1C3
SCHEMBL12415846 0.80 EGFR (0.51) HCAR3EGFRL3MBTL1AKR1C4AKR1C3
SCHEMBL12591645 0.80 AKR1B1 (0.54) HCAR3EGFRL3MBTL1AKR1C4AKR1C3
SCHEMBL2338144 0.80 HCAR3 (0.76) HCAR3AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2648562 0.80 HCAR3 (0.76) HCAR3AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4063056 0.79 TDP1 (0.68) HCAR3EGFRL3MBTL1MAPTKMT2A
SCHEMBL1668165 0.79 HCAR3 (0.59) HCAR3EGFRAKR1C4AKR1C3AKR1C2
SCHEMBL27697310 0.78 HCAR3 (0.55) HCAR3EGFRAKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851490-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
EP-1877052-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-07-22 EP disclosed
US-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex ANIONA APS (DK) 2009-02-05 US disclosed
CN-101141958-A Benzimidazole derivatives and their use for modulating GABAAUse of receptor complexes NEUROSEARCH AS (DK) 2008-03-12 CN disclosed
EP-1877052-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-16 EP disclosed
WO-2006108800-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-19 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-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex GABRB2, GABRB1, GABRB3 HCAR3 284/4885EGFR 2876/4885L3MBTL1 3734/4885

“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.