SCHEMBL2652140

SCHEMBL2652140

CSCCOC(=O)c1ccc(Nc2cccc(Cn3ccnc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HCAR3 P49019 1/20 0.39
PTGER4 P35408 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL2651961 0.88 ALDH1A1 (0.51) CYP19A1ALDH1A1MAPTHPGDKMT2A
SCHEMBL2652723 0.87 CYP19A1 (0.44) CYP19A1
SCHEMBL2652144 0.79 MAPT (0.42) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL2651563 0.76 MAPT (0.44) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL2650128 0.74 CYP19A1 (0.52) CYP19A1
SCHEMBL2650375 0.72 FGFR1 (0.46) CYP19A1HPGDKMT2A
SCHEMBL2653630 0.72 KMT2A (0.60) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL27467415 0.70 CYP19A1 (0.52) CYP19A1ALDH1A1LMNASMN1; SMN2
SCHEMBL2650959 0.70 MAPT (0.50) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL2652323 0.69 MAPT (0.49) ALDH1A1MAPTHPGDKMT2ALMNA

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 CYP19A1 1441/4885ALDH1A1 977/4885MAPT 906/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 CYP19A1 1744/4885ALDH1A1 1345/4885MAPT 981/4885

“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.