SCHEMBL2655100

SCHEMBL2655100

CC(=O)c1ccc(Nc2cccc(-c3ccon3)c2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
NPC1 O15118 3/20 0.46
GFER P55789 2/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PRKCI P41743 1/20 0.45
AKR1C3 P42330 7/20 0.44
AKR1C2 P52895 7/20 0.44
SYK P43405 4/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
ERBB2 P04626 1/20 0.42
PTK6 Q13882 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2653406 0.83 MAPT (0.49) NPC1MAPTALDH1A1HPGDAKR1C3
SCHEMBL2648414 0.81 CNR1 (0.49) GAANPC1GFERKDM4EMAPT
SCHEMBL2650071 0.79 GAA (0.49) GAANPC1GFERKDM4EMAPT
SCHEMBL2647667 0.78 GAA (0.48) GAANPC1GFERKDM4EMAPT
SCHEMBL2643439 0.77 NPC1 (0.53) GAANPC1GFERKDM4EMAPT
SCHEMBL2653252 0.76 SYK (0.41) GAAGFERKDM4EMAPTALDH1A1
SCHEMBL9071956 0.76 AKR1C3 (0.69) GAANPC1GFERKDM4EMAPT
SCHEMBL7989959 0.75 GAA (0.77) GAANPC1GFERKDM4EMAPT
SCHEMBL2655091 0.75 SYK (0.38) GAAGFERKDM4EMAPTALDH1A1
SCHEMBL2649113 0.74 PRKCI (0.55) GAANPC1GFERKDM4EMAPT

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 4 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 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
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 GAA 1049/4885NPC1 1700/4885GFER 2077/4885

“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.