SCHEMBL5083135

SCHEMBL5083135

CCCCCCNC1CCCN(S(=O)(=O)c2cccc3c(Cl)nccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 5/20 0.40
TP53 P04637 4/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
PRKX P51817 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5080598 0.89 ROCK2 (0.40) ROCK2ROCK1TP53MEN1TSHR
SCHEMBL4726186 0.89 CHRM1 (0.47) CHRM1ROCK2ROCK1TP53MEN1
SCHEMBL5086472 0.83 ROCK2 (0.59) CHRM1ROCK2ROCK1MEN1KMT2A
SCHEMBL5086561 0.82 POLB (0.54) CHRM1ROCK2ROCK1TP53MEN1
SCHEMBL7328966 0.81 ALDH1A1 (0.41) ROCK2ROCK1TP53MEN1TSHR
SCHEMBL4725783 0.78 TP53 (0.37) ROCK2ROCK1TP53MEN1TSHR
SCHEMBL4727809 0.78 CHRM1 (0.51) CHRM1ROCK2ROCK1CYP3A4HSD11B1
SCHEMBL4782719 0.77 POLB (0.51) CHRM1ROCK2ROCK1TP53MEN1
SCHEMBL7317880 0.77 CHRM1 (0.54) CHRM1ROCK2ROCK1TP53MEN1
SCHEMBL4782353 0.77 CHRM1 (0.52) CHRM1ROCK2ROCK1TP53MEN1

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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 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-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.