SCHEMBL2654409

SCHEMBL2654409

OCc1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 1/20 0.44
FGFR1 P11362 8/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPC1 O15118 3/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NCOA3 Q9Y6Q9 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
SCHEMBL2653551 0.88 FGFR1 (0.46) HPGDFGFR1SRC
SCHEMBL2655147 0.85 FGFR1 (0.43) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2656192 0.84 IDO1 (0.49) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2659981 0.83 KMT2A (0.41) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2659773 0.83 FGFR1 (0.42) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2660553 0.82 FGFR1 (0.47) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2647252 0.81 FGFR1 (0.62) RAB9AALDH1A1HPGDSMN1; SMN2IDO1
SCHEMBL2653400 0.81 FGFR1 (0.47) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL20510883 0.81 FGFR1 (0.58) HTTIDO1FGFR1CYP11B1CYP11B2
SCHEMBL2659276 0.80 HPGD (0.38) RAB9AKDM4EALDH1A1HPGDSMN1; 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 5 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
CN-1759112-A Benzimidazole derivatives and their use for modulating the GABA- SB A /SB receptor complex NEUROSEARCH AS (DK) 2006-04-12 CN disclosed
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 RAB9A 2329/4885KDM4E 1815/4885ALDH1A1 477/4885

“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.