SCHEMBL2335018

SCHEMBL2335018

COC(=O)c1ccc(Nc2ccc(F)c(Br)c2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KMT2A Q03164 5/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 4/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C1 Q04828 1/20 0.51
HTT P42858 1/20 0.50
HCAR3 P49019 1/20 0.48

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
SCHEMBL2188968 0.88 LMNA (0.53) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL145023 0.84 MAPT (0.62) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL21672257 0.84 MAPT (0.50) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL8233274 0.81 MAPT (0.61) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL2335498 0.81 GAA (0.57) MAPTKMT2ALMNAMEN1HPGD
SCHEMBL7153117 0.81 MAPT (0.64) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL30441386 0.81 MAPT (0.64) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL12374635 0.81 LMNA (0.74) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL23675133 0.80 MAPT (0.81) MAPTKMT2ALMNAMEN1AKR1C3
SCHEMBL2367866 0.80 MAPT (0.51) MAPTKMT2ALMNAMEN1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102388035-A Benzimidazole derivatives and their use for modulating the gabaa receptor complex NEUROSEARCH AS 2012-03-21 CN disclosed
US-20110257210-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2011-10-20 US disclosed
US-20110257210-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2011-10-20 US disclosed
EP-2358701-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2011-08-24 EP disclosed
WO-2010055129-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO disclosed
WO-2010055128-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO disclosed
WO-2010055128-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 WO disclosed
WO-2010055129-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2010-05-20 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-20110257210-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 MAPT 4558/4885KMT2A 2883/4885LMNA 4276/4885

“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.