SCHEMBL2652080

SCHEMBL2652080

CC(OC(=O)c1cccc(-n2cnc3cc(-c4ccoc4)ccc32)c1)c1ccc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.40
KDR P35968 1/20 0.37
NT5E P21589 2/20 0.36
HPGD P15428 6/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
GRM1 Q13255 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2649859 0.81 HPGD (0.47) FGFR1KDRNT5EHPGDSMN1; SMN2
SCHEMBL7832076 0.78 FGFR1 (0.57) FGFR1KDRNT5EHPGDSMN1; SMN2
SCHEMBL2648570 0.77 ATM (0.46) FGFR1KDRNT5EHPGD
SCHEMBL27483316 0.75 FGFR1 (0.41) FGFR1KDRNT5EHPGD
SCHEMBL27483681 0.74 HPGD (0.42) FGFR1KDRHPGDSMN1; SMN2NPC1
SCHEMBL7819821 0.74 KDR (0.49) FGFR1KDRNT5EHPGDALDH1A1
SCHEMBL2652076 0.73 CHRNB2 (0.51) HPGD
SCHEMBL2651468 0.73 KDR (0.43) FGFR1KDRHPGDSMN1; SMN2NPC1
SCHEMBL5778525 0.72 HDAC2 (0.39) HPGDSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL7468883 0.72 NT5E (0.60) FGFR1KDRNT5EHPGDALDH1A1

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 FGFR1 3025/4885KDR 2716/4885NT5E 2957/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 FGFR1 3083/4885KDR 2879/4885NT5E 3115/4885

“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.