SCHEMBL4729409

SCHEMBL4729409

CCCNC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.60
ROCK1 Q13464 12/20 0.60
PRKD3 O94806 4/20 0.57
PRKCG P05129 4/20 0.57
PRKCB P05771 4/20 0.57
PRKCA P17252 4/20 0.57
PRKCH P24723 4/20 0.57
PRKCI P41743 4/20 0.57
PRKCE Q02156 4/20 0.57
PRKCQ Q04759 4/20 0.57
PRKCZ Q05513 4/20 0.57
PRKCD Q05655 4/20 0.57
PRKD1 Q15139 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2D6 P10635 2/20 0.57
NFKB1 P19838 1/20 0.57
PRKACA P17612 3/20 0.53
PRKACG P22612 3/20 0.53
PRKACB P22694 3/20 0.53
CCR2 P41597 2/20 0.53

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
SCHEMBL5086472 0.93 ROCK2 (0.59) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4729584 0.92 ROCK2 (0.59) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4726056 0.88 ROCK2 (0.67) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4727566 0.88 ROCK2 (0.54) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4727367 0.87 CYP3A4 (0.62) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4780906 0.85 CYP3A4 (0.53) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4727306 0.85 ROCK2 (0.61) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4727862 0.82 CYP3A4 (0.56) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4728424 0.82 ROCK2 (0.65) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL7328966 0.82 ALDH1A1 (0.41) ROCK2ROCK1PRKCEPRKCDPRKD1

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 ROCK2 2320/4885ROCK1 2248/4885PRKD3 3105/4885

“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.