SCHEMBL5086217

SCHEMBL5086217

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 5/20 0.44
ROCK1 Q13464 5/20 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
EPHX2 P34913 1/20 0.43
COMT P21964 2/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL4878360 0.95 ROCK2 (0.43) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL4728460 0.93 ALOX5AP (0.45) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL5086408 0.86 CHRM1 (0.50) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL4728126 0.86 ROCK2 (0.43) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL4726171 0.85 CCR6 (0.47) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL5083072 0.84 ROCK2 (0.49) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL4732315 0.83 MAPK1 (0.50) SMN1; SMN2EPHX2
SCHEMBL2907238 0.82 POLB (0.56) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL9617966 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ROCK2ROCK1PRKXPRKCE
SCHEMBL4728648 0.80 ROCK2 (0.45) SMN1; SMN2ROCK2ROCK1PRKXPRKCE

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 3 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

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 SMN1; SMN2 11/4885ROCK2 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.