SCHEMBL2653370

SCHEMBL2653370

OCc1ccc2c(c1)ncn2-c1cccc(-c2ccoc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.44
FYN P06241 2/20 0.42
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 1/20 0.41
FGFR1 P11362 8/20 0.40
SRC P12931 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL7819821 0.87 KDR (0.49) NT5EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2655104 0.86 KDR (0.43) NT5EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2642029 0.86 FGFR1 (0.52) FGFR1SRCKDR
SCHEMBL2654571 0.84 GABRA1 (0.44) NT5EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2653433 0.84 NT5E (0.41) NT5EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2654538 0.82 FGFR1 (0.45) NT5EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2654510 0.81 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2656527 0.81 FGFR1 (0.39) NT5EGABRA1GABRG2GABRB3GABRA5
SCHEMBL2647217 0.81 GABRA1 (0.60) FYNGABRA1GABRG2GABRB3GABRA5
SCHEMBL7468883 0.80 NT5E (0.60) NT5EFGFR1SRCHPGDALDH1A1

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 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 NT5E 2362/4885FYN 4069/4885GABRA1 6/4885

“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.