SCHEMBL2654570

SCHEMBL2654570

OCc1ccc2c(c1)ncn2-c1cccc(-c2cccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FYN P06241 1/20 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

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
SCHEMBL2655655 0.86 FGFR1 (0.46) HPGDKDM4EALDH1A1MAPTTDP1
SCHEMBL5929816 0.84 FGFR1 (0.42) HPGDKDM4EALDH1A1MAPTTDP1
SCHEMBL2655671 0.84 FGFR1 (0.43) HPGDKDM4EALDH1A1MAPTTDP1
SCHEMBL2655366 0.83 PDPK1 (0.40) HPGDKDM4EALDH1A1MAPTTDP1
SCHEMBL2642029 0.83 FGFR1 (0.52) FGFR1HTTSRC
SCHEMBL2654500 0.82 FGFR1 (0.45) HPGDKDM4EALDH1A1MAPTTDP1
SCHEMBL2659740 0.81 HPGD (0.38) HPGDKDM4EALDH1A1MAPTTDP1
SCHEMBL2654510 0.79 GABRA1 (0.40) HPGDALDH1A1RAB9ANPC1GABRA1
SCHEMBL2647217 0.78 GABRA1 (0.60) HPGDKDM4EALDH1A1MAPTTDP1
SCHEMBL2337472 0.78 RIPK1 (0.51) HPGDALDH1A1MAPTRAB9ANPC1

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 HPGD 2466/4885KDM4E 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.