SCHEMBL2653563

SCHEMBL2653563

c1cc(-c2nccs2)cc(-n2cnc3cc(COCC4CC4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
HCRTR1 O43613 9/20 0.37
HCRTR2 O43614 9/20 0.37
FGFR1 P11362 3/20 0.36
SRC P12931 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 1/20 0.35
HPGD P15428 1/20 0.34
PDPK1 O15530 1/20 0.34
LOXL2 Q9Y4K0 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
SCHEMBL2654707 0.87 GABRA1 (0.43) FFAR1FGFR1GABRA1GABRG2GABRB3
SCHEMBL2659740 0.86 HPGD (0.38) FFAR1FGFR1SRCGABRA1GABRG2
SCHEMBL2653526 0.85 FGFR1 (0.44) FFAR1FGFR1SRCGABRA1GABRG2
SCHEMBL2657102 0.84 FFAR1 (0.41) FFAR1HCRTR1HCRTR2FGFR1GABRA1
SCHEMBL2661821 0.83 FGFR1 (0.40) FFAR1FGFR1GABRA1GABRG2GABRB3
SCHEMBL2652183 0.81 LOXL2 (0.52) FFAR1FGFR1GABRA1GABRG2GABRB3
SCHEMBL2655366 0.81 PDPK1 (0.40) FFAR1FGFR1SRCGABRA1GABRG2
SCHEMBL2656527 0.80 FGFR1 (0.39) FGFR1SRCGABRA1GABRG2GABRB3
SCHEMBL2654436 0.80 FGFR1 (0.41) FGFR1SRCHPGD
SCHEMBL2653488 0.80 FGFR1 (0.38) FGFR1SRCGABRA1GABRG2GABRB3

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 FFAR1 789/4885HCRTR1 86/4885HCRTR2 90/4885

“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.