SCHEMBL2652573

SCHEMBL2652573

CC(O)Cc1ccc2c(c1)ncn2-c1cccc(N2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.48
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FGFR1 P11362 4/20 0.41

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
SCHEMBL2660007 0.87 FGFR1 (0.45) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2655066 0.87 HPGD (0.45) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2655446 0.85 FGFR1 (0.43) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2653646 0.83 FGFR1 (0.47) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL5929894 0.83 HPGD (0.53) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL5929969 0.82 HPGD (0.40) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2653360 0.76 HPGD (0.48) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2660047 0.76 HPGD (0.48) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2943514 0.76 HPGD (0.58) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2653282 0.76 HPGD (0.46) HPGDALDH1A1NPC1GLARAB9A

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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US claimed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP claimed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO claimed
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 HPGD 2466/4885ALDH1A1 477/4885NPC1 1700/4885

“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.