SCHEMBL20252575

SCHEMBL20252575

CCc1cccc(F)c1CN

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
MAOB P27338 2/20 0.40
KDM4E B2RXH2 2/20 0.37
IDO1 P14902 2/20 0.36
AOC3 Q16853 1/20 0.36
HTR1A P08908 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PNMT P11086 1/20 0.34

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
SCHEMBL5853395 0.85 GABRA1 (0.46) TAAR1GABRA1GABRB2KDM4EHTR1A
SCHEMBL3672443 0.85 TAAR1 (0.48) TAAR1MAOBIDO1AOC3HTT
SCHEMBL2554785 0.84 GABRA1 (0.50) TAAR1GABRA1GABRB2HTR1APNMT
SCHEMBL21136476 0.84 TAAR1 (0.45) TAAR1MAOBKDM4EIDO1AOC3
SCHEMBL27689459 0.83 TAAR1 (0.43) TAAR1MAOBIDO1ALDH1A1HTT
Hydrochloric Acid SCHEMBL10351311 0.82 GABRA1 (0.48) TAAR1GABRA1GABRB2HTR1APNMT
SCHEMBL12082037 0.80 GABRA1 (0.46) TAAR1GABRA1GABRB2HTR1APNMT
SCHEMBL13084 0.79 TAAR1 (0.54) TAAR1MAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL320965 0.79 GABRA1 (0.46) TAAR1GABRA1GABRB2KDM4EHTR1A
SCHEMBL14140079 0.79 GABRA1 (0.41) TAAR1GABRA1GABRB2KDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 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-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B TAAR1 1715/4885GABRA1 137/4885GABRB2 120/4885

“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.