SCHEMBL2191876

SCHEMBL2191876

[2H]C([2H])([2H])C(O)(c1ccc2c(c1)ncn2-c1cccc(Br)c1)C([2H])([2H])[2H]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FGFR1 P11362 8/20 0.42
SIK1 P57059 2/20 0.41
SIK2 Q9H0K1 2/20 0.41
SIK3 Q9Y2K2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL2666423 0.91 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12694695 0.88 MEN1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12415705 0.87 MEN1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12415693 0.86 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2189538 0.84 HPGD (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2666329 0.82 MEN1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2666380 0.81 HPGD (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12415795 0.78 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19467894 0.77 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12415691 0.77 FGFR1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US 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-20110172280-A1 Substituted Benzimidazoles GABRA5, GABRB1, GABRA4 GABRA1 6/4885GABRG2 14/4885GABRB3 7/4885

“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.