SCHEMBL2652519

SCHEMBL2652519

Nc1cc(CO)ccc1Nc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.41
GAA P10253 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDO2 P48775 1/20 0.39
IDO1 P14902 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
GFER P55789 2/20 0.39
NPC1 O15118 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A2 P23975 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
SCHEMBL2027820 0.83 GAA (0.57) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL24661256 0.81 SIRT1 (0.54) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL2652766 0.77 HCAR3 (0.47) EGFRALDH1A1MAPTHPGDFBP1
SCHEMBL1519246 0.76 MAPT (0.62) EGFRGAAKDM4EALDH1A1MAPT
SCHEMBL2649328 0.75 GAA (0.73) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL2649113 0.74 PRKCI (0.55) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL12591635 0.73 EGFR (0.41) EGFRGAAKDM4EALDH1A1MAPT
SCHEMBL1761791 0.73 KDM4E (0.70) EGFRGAAKDM4EALDH1A1MAPT
SCHEMBL17026895 0.73 MAPT (0.70) EGFRGAAKDM4EALDH1A1MAPT
SCHEMBL6872769 0.73 GAA (0.50) EGFRGAAKDM4EALDH1A1MAPT

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 EGFR 2876/4885GAA 739/4885KDM4E 1799/4885

“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.