SCHEMBL2652428

SCHEMBL2652428

CCOC(=O)c1ccc2c(c1)ncn2-c1cccc(C(C)OCc2ncc[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
FGFR1 P11362 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL2964600 0.84 HPGD (0.45) HPGDSMN1; SMN2MAPK1FGFR1KMT2A
SCHEMBL2974099 0.83 HPGD (0.39) HPGDSMN1; SMN2MAPK1FGFR1GABRA1
SCHEMBL2653523 0.82 FGFR1 (0.43) HPGDSMN1; SMN2MAPK1FGFR1ALDH1A1
SCHEMBL2978344 0.81 HPGD (0.39) HPGDSMN1; SMN2MAPK1FGFR1KMT2A
SCHEMBL2977952 0.81 HPGD (0.37) HPGDSMN1; SMN2MAPK1FGFR1GABRA1
SCHEMBL2653928 0.81 GABRP (0.40) HPGDSMN1; SMN2MAPK1FGFR1GABRA1
SCHEMBL2652698 0.81 HPGD (0.38) HPGDSMN1; SMN2MAPK1FGFR1GABRA1
SCHEMBL1881913 0.79 NOTUM (0.51) KMT2AMEN1GABRA1GABRA2
SCHEMBL2652210 0.78 HPGD (0.42) HPGDSMN1; SMN2FGFR1NPC1ALDH1A1
SCHEMBL2652602 0.76 FGFR1 (0.61) HPGDSMN1; SMN2MAPK1FGFR1KMT2A

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-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US claimed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US claimed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US disclosed
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 HPGD 1855/4885SMN1; SMN2 2658/4885MAPK1 3823/4885

“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.