SCHEMBL2653789

SCHEMBL2653789

CC(O)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
FGFR1 P11362 10/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 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
SCHEMBL2646511 0.91 HPGD (0.47) IDO1FGFR1HPGDNPC1RAB9A
SCHEMBL2653121 0.87 FGFR1 (0.43) IDO1FGFR1HPGDNCOA3SRC
SCHEMBL2659620 0.87 FGFR1 (0.43) IDO1FGFR1HPGDNCOA3SRC
SCHEMBL2655096 0.84 SMN1; SMN2 (0.42) IDO1FGFR1HPGDNPC1RAB9A
SCHEMBL2656896 0.82 FGFR1 (0.45) IDO1FGFR1HPGDNPC1RAB9A
SCHEMBL2647252 0.82 FGFR1 (0.62) IDO1FGFR1HPGDNPC1RAB9A
SCHEMBL2656192 0.82 IDO1 (0.49) IDO1FGFR1HPGDNPC1RAB9A
SCHEMBL2659275 0.81 FGFR1 (0.39) IDO1FGFR1HPGDSRC
SCHEMBL13002368 0.81 HPGD (0.57) FGFR1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2662404 0.80 FGFR1 (0.38) IDO1FGFR1HPGDRAB9ASMN1; SMN2

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 IDO1 1002/4885FGFR1 3374/4885HPGD 2466/4885

“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.