SCHEMBL2654792

SCHEMBL2654792

CC(C)OC(=O)c1ccc(Nc2cccc(Br)c2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
HPGD P15428 2/20 0.54
HCAR3 P49019 1/20 0.52
AKR1C4 P17516 2/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 2/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL8233274 0.89 MAPT (0.61) MAPTHPGDHCAR3AKR1C4AKR1C3
SCHEMBL1668165 0.84 HCAR3 (0.59) MAPTHPGDHCAR3AKR1C4AKR1C3
SCHEMBL2642063 0.83 MAPT (0.51) MAPTHPGDHCAR3AKR1C4AKR1C3
SCHEMBL2648562 0.83 HCAR3 (0.76) MAPTHPGDHCAR3AKR1C4AKR1C3
SCHEMBL2338144 0.83 HCAR3 (0.76) MAPTHPGDHCAR3AKR1C4AKR1C3
SCHEMBL2655563 0.82 NPC1 (0.51) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL8224805 0.81 ABCB1 (0.49) MAPTHPGDHCAR3AKR1C4AKR1C3
SCHEMBL2649683 0.81 MAPT (0.48) MAPTHPGDHCAR3AKR1C4AKR1C3
SCHEMBL11526305 0.81 KMT2A (0.61) MAPTHPGDHCAR3AKR1C3AKR1C2
SCHEMBL27697310 0.81 HCAR3 (0.55) MAPTHPGDHCAR3AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 MAPT 1060/4885HPGD 2466/4885HCAR3 249/4885

“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.