SCHEMBL2651587

SCHEMBL2651587

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 8/20 0.37
HPGD P15428 6/20 0.35
NT5E P21589 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
NTRK1 P04629 1/20 0.33
FLT3 P36888 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2647974 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1KDRHPGDALDH1A1
SCHEMBL2652084 0.81 ALDH1A1 (0.44) SMN1; SMN2MAPK1KDRHPGDALDH1A1
SCHEMBL2650751 0.80 CYP1A2 (0.49) MAPK1KDRHPGDNT5EALDH1A1
SCHEMBL2649465 0.79 HPGD (0.39) SMN1; SMN2KDRHPGDALDH1A1NPC1
SCHEMBL2649181 0.79 HPGD (0.38) SMN1; SMN2KDRHPGDALDH1A1NPC1
SCHEMBL2652168 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1HPGDALDH1A1NPC1
SCHEMBL2648039 0.77 KDR (0.40) SMN1; SMN2KDRHPGDALDH1A1NPC1
SCHEMBL2647976 0.77 HPGD (0.42) SMN1; SMN2KDRHPGDALDH1A1NPC1
SCHEMBL2648921 0.76 FGFR1 (0.42) SMN1; SMN2MAPK1KDRHPGDALDH1A1
SCHEMBL2648823 0.76 KDR (0.44) KDRNT5EALDH1A1MEN1KMT2A

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 SMN1; SMN2 759/4885MAPK1 4123/4885KDR 2716/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 SMN1; SMN2 729/4885MAPK1 4282/4885KDR 2879/4885

“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.