SCHEMBL2652084

SCHEMBL2652084

CCOC(=O)N1CCN(c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 10/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2648921 0.93 FGFR1 (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2649465 0.89 HPGD (0.39) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2940257 0.89 GPR119 (0.45) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2652320 0.88 KMT2A (0.45) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2649631 0.87 HPGD (0.37) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2649181 0.87 HPGD (0.38) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2648039 0.83 KDR (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2649859 0.83 HPGD (0.47) HPGDSMN1; SMN2MAPK1KMT2AKDR
SCHEMBL2647976 0.83 HPGD (0.42) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2650751 0.83 CYP1A2 (0.49) ALDH1A1HPGDMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US claimed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US claimed
JP-2003502405-A 2003-01-21 JP claimed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP claimed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO claimed
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 977/4885HPGD 1452/4885RAB9A 3221/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 1345/4885HPGD 1290/4885RAB9A 3451/4885

“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.