SCHEMBL2654063

SCHEMBL2654063

COc1ccc2c(c1)ncn2-c1cccc(N2CCN(C(C)=O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.59
FGFR1 P11362 5/20 0.58
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 2/20 0.49
KDR P35968 1/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MAPK10 P53779 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL2654476 0.88 ENPP2 (0.48) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2653778 0.86 HPGD (0.58) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2650466 0.85 FGFR1 (0.65) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL5781875 0.84 FGFR1 (0.62) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2653480 0.84 HPGD (0.48) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2659359 0.83 HPGD (0.58) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2655791 0.83 ALDH1A1 (0.48) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2656455 0.82 HPGD (0.57) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2654001 0.82 HPGD (0.50) HPGDFGFR1ALDH1A1RAB9ANPC1
SCHEMBL2660361 0.82 HPGD (0.48) HPGDFGFR1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US claimed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP claimed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO claimed
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US disclosed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 HPGD 2480/4885FGFR1 3792/4885ALDH1A1 514/4885

“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.