SCHEMBL5083072

SCHEMBL5083072

NC1CCN(S(=O)(=O)c2cccc3c(O)nccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.49
ROCK1 Q13464 9/20 0.49
PRKX P51817 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKD1 Q15139 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
COMT P21964 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL4728648 0.93 ROCK2 (0.45) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL4878360 0.91 ROCK2 (0.43) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL4725363 0.86 ROCK2 (0.48) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL5086217 0.84 SMN1; SMN2 (0.46) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL9617966 0.84 SMN1; SMN2 (0.67) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL2907389 0.82 ROCK2 (0.67) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL2907238 0.82 POLB (0.56) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL4726171 0.82 CCR6 (0.47) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL2909739 0.81 ROCK2 (0.47) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL4728460 0.80 ALOX5AP (0.45) ROCK2ROCK1PRKXPRKCEPRKCD

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 ROCK2 2320/4885ROCK1 2248/4885PRKX 3067/4885

“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.