SCHEMBL2653048

SCHEMBL2653048

COC(C)N1CCN(c2cccc(-n3cnc4cc(CC(=O)OCCO)ccc43)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.40
FGFR1 P11362 5/20 0.39
SRC P12931 1/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2652435 0.91 HPGD (0.42) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2652926 0.86 FGFR1 (0.49) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2653042 0.85 FGFR1 (0.42) HPGDFGFR1SRCKITFLT3
SCHEMBL4704313 0.80 FGFR1 (0.48) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2653961 0.80 FGFR1 (0.57) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2649765 0.79 HPGD (0.51) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2650302 0.79 HPGD (0.50) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2654310 0.79 FGFR1 (0.52) HPGDFGFR1ALDH1A1NPC1GLA
SCHEMBL2652290 0.78 FGFR1 (0.46) HPGDFGFR1SRCALDH1A1NPC1
SCHEMBL2655791 0.78 ALDH1A1 (0.48) HPGDFGFR1ALDH1A1NPC1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed
US-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUSEARCH A/S (DK) 2006-10-26 US claimed
EP-1615896-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2006-01-18 EP claimed
WO-2004089912-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2004-10-21 WO claimed
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP disclosed
US-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUSEARCH A/S (DK) 2006-10-26 US disclosed
EP-1615896-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2006-01-18 EP disclosed
WO-2004089912-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2004-10-21 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 (1 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-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA2, GABRA1, GABRA5 HPGD 1091/4885FGFR1 2849/4885SRC 3901/4885

“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.