SCHEMBL2651871

SCHEMBL2651871

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.48
PTGER4 P35408 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.48
SIRT6 Q8N6T7 4/20 0.48
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
WDR5 P61964 2/20 0.45
AKR1C4 P17516 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
THRB P10828 2/20 0.43
HCAR3 P49019 1/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 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
SCHEMBL2661601 0.93 MAPT (0.47) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2661798 0.91 MAPT (0.48) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2650623 0.91 MAPT (0.49) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2661830 0.90 MAPT (0.45) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2651563 0.90 MAPT (0.44) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2650643 0.89 MAPT (0.44) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL4702845 0.89 MAPT (0.46) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2662508 0.88 MAPT (0.46) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2662484 0.88 THRB (0.47) ALDH1A1MAPTPTGER4RAB9AHPGD
SCHEMBL2662625 0.88 MAPT (0.44) ALDH1A1MAPTPTGER4RAB9AHPGD

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 ALDH1A1 977/4885MAPT 906/4885PTGER4 548/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 1345/4885MAPT 981/4885PTGER4 469/4885

“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.