SCHEMBL5086408

SCHEMBL5086408

CNC1CCN(S(=O)(=O)c2cccc3c(Cl)nccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 6/20 0.44
ROCK1 Q13464 6/20 0.44
PRKX P51817 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.41
NFKB1 P19838 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4727809 0.93 CHRM1 (0.51) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL5086217 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL7318271 0.84 CHRM1 (0.55) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL4779943 0.83 EBP (0.50) CHRM1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL2909997 0.82 POLB (0.63) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL4878360 0.81 ROCK2 (0.43) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL7312944 0.80 CHRM1 (0.53) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL7352432 0.80 CHRM1 (0.56) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL4730348 0.80 CHRM1 (0.53) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL4728460 0.80 ALOX5AP (0.45) CHRM1SMN1; SMN2ROCK2ROCK1PRKX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3077/4885SMN1; SMN2 11/4885ROCK2 2320/4885

“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.