SCHEMBL2651794

SCHEMBL2651794

COCCOC(=O)c1ccc(Nc2cccc(N3CCN(C(C=O)OCc4ccccc4)CC3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.39
PTGER4 P35408 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.39
HCAR3 P49019 2/20 0.38
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
MGLL Q99685 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SERPINE1 P05121 1/20 0.36

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
SCHEMBL2651069 0.90 MAPT (0.42) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL5781910 0.88 MAPT (0.41) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2662484 0.85 THRB (0.47) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2651792 0.84 MAPT (0.43) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2652325 0.83 MAPT (0.44) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2651871 0.83 ALDH1A1 (0.48) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2661798 0.81 MAPT (0.48) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2650623 0.81 MAPT (0.49) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2661830 0.80 MAPT (0.45) MAPTHPGDALDH1A1PTGER4RAB9A
SCHEMBL2650643 0.79 MAPT (0.44) MAPTHPGDALDH1A1PTGER4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (2 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885HPGD 1452/4885ALDH1A1 977/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 981/4885HPGD 1290/4885ALDH1A1 1345/4885

“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.