SCHEMBL2652297

SCHEMBL2652297

CC(=O)c1ccc(Nc2cccc(-c3ncc(Cl)s3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
HCAR3 P49019 1/20 0.47
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
AKR1B1 P15121 2/20 0.43
AKR1C4 P17516 2/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1B10 O60218 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
ERBB2 P04626 1/20 0.42
PTK6 Q13882 1/20 0.42
POLB P06746 2/20 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
SCHEMBL27717206 0.85 MEN1 (0.42) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL2652430 0.84 AKR1C3 (0.45) MAPTHPGDAKR1C3AKR1C2AKR1B1
SCHEMBL2649499 0.82 HCAR3 (0.51) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL27717209 0.81 EPAS1 (0.40) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL2650633 0.81 HCAR3 (0.52) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL2643637 0.80 HCAR3 (0.51) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL2647819 0.79 HCAR3 (0.53) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL13002357 0.76 AKR1C3 (0.63) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL2653406 0.76 MAPT (0.49) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL11341363 0.76 HCAR3 (0.79) MAPTHPGDHCAR3AKR1C3AKR1C2

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 5 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
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 MAPT 1323/4885HPGD 2186/4885HCAR3 284/4885

“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.