SCHEMBL4727809

SCHEMBL4727809

CNC1CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.51
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 8/20 0.40
ROCK1 Q13464 8/20 0.40
PRKCE Q02156 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKD1 Q15139 2/20 0.40
PRKX P51817 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCQ Q04759 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
SCHEMBL5086408 0.93 CHRM1 (0.50) CHRM1ALOX5APFEN1SMN1; SMN2ROCK2
SCHEMBL4728460 0.87 ALOX5AP (0.45) CHRM1ALOX5APFEN1SMN1; SMN2ROCK2
SCHEMBL7352432 0.83 CHRM1 (0.56) CHRM1ALOX5APFEN1SMN1; SMN2ROCK2
SCHEMBL4730348 0.83 CHRM1 (0.53) CHRM1ALOX5APFEN1SMN1; SMN2ROCK2
SCHEMBL4726186 0.82 CHRM1 (0.47) CHRM1SMN1; SMN2ROCK2ROCK1PRKCE
SCHEMBL7318271 0.80 CHRM1 (0.55) CHRM1SMN1; SMN2ROCK2ROCK1PRKCE
SCHEMBL5086217 0.80 SMN1; SMN2 (0.46) ALOX5APFEN1SMN1; SMN2ROCK2ROCK1
SCHEMBL4782719 0.79 POLB (0.51) CHRM1SMN1; SMN2ROCK2ROCK1PRKCE
SCHEMBL4779943 0.79 EBP (0.50) CHRM1SMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL4731780 0.79 ROCK2 (0.64) CHRM1SMN1; SMN2ROCK2ROCK1PRKCE

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 3077/4885ALOX5AP 2721/4885FEN1 3179/4885

“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.