SCHEMBL4730348

SCHEMBL4730348

NC1CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
ROCK2 O75116 8/20 0.45
ROCK1 Q13464 8/20 0.45
PRKCE Q02156 2/20 0.45
PRKCD Q05655 2/20 0.45
PRKD1 Q15139 2/20 0.45
PRKX P51817 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
CYP3A4 P08684 3/20 0.39
NFKB1 P19838 3/20 0.39
CYP2D6 P10635 2/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCQ Q04759 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
SCHEMBL4782353 0.93 CHRM1 (0.52) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL7352432 0.86 CHRM1 (0.56) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL4728648 0.86 ROCK2 (0.45) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL7318271 0.83 CHRM1 (0.55) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL4727809 0.83 CHRM1 (0.51) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL7317880 0.81 CHRM1 (0.54) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL5086408 0.80 CHRM1 (0.50) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL4782719 0.80 POLB (0.51) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL2905088 0.79 CYP3A4 (0.64) CHRM1ROCK2ROCK1PRKCEPRKCD
SCHEMBL4725363 0.79 ROCK2 (0.48) CHRM1ROCK2ROCK1PRKCEPRKCD

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN CHRM1 3077/4885ROCK2 2320/4885ROCK1 2248/4885

“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.