SCHEMBL2662237

SCHEMBL2662237

COC(=O)c1ccc(Nc2cccc(N3CCN(Cc4ccccc4)CC3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
AKR1C4 P17516 2/20 0.50
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
AKR1C1 Q04828 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL2662484 0.92 THRB (0.47) ALDH1A1MAPTMAPK1KMT2AHSD17B10
SCHEMBL2661709 0.86 MAPT (0.48) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL2661691 0.86 MAPT (0.48) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL2652970 0.85 NPC1 (0.54) ALDH1A1MAPTMAPK1KMT2AHSD17B10
SCHEMBL2649234 0.84 MAPT (0.52) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL2651792 0.82 MAPT (0.43) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL2661798 0.81 MAPT (0.48) ALDH1A1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL8259906 0.81 MAPT (0.44) ALDH1A1MAPTMAPK1KMT2AHPGD
SCHEMBL5781737 0.81 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4702845 0.80 MAPT (0.46) ALDH1A1MAPTMAPK1KMT2ASMN1; SMN2

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 906/4885MAPK1 4123/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 1345/4885MAPT 981/4885MAPK1 4282/4885

“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.