SCHEMBL4728462

SCHEMBL4728462

O=S(=O)(c1cccc2cnccc12)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.65
ROCK1 Q13464 11/20 0.65
PRKD3 O94806 3/20 0.63
PRKCG P05129 3/20 0.63
PRKCB P05771 3/20 0.63
CYP3A4 P08684 3/20 0.63
PRKCA P17252 3/20 0.63
PRKCH P24723 3/20 0.63
PRKCI P41743 3/20 0.63
PRKCE Q02156 3/20 0.63
PRKCQ Q04759 3/20 0.63
PRKCZ Q05513 3/20 0.63
PRKCD Q05655 3/20 0.63
PRKD1 Q15139 3/20 0.63
ADORA3 P0DMS8 2/20 0.63
PRKACA P17612 2/20 0.63
PRKACG P22612 2/20 0.63
PRKACB P22694 2/20 0.63
KDM4E B2RXH2 2/20 0.63
CYP1A2 P05177 1/20 0.63

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
SCHEMBL2954546 0.89 PRKD3 (0.65) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL17007434 0.89 ROCK2 (0.66) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4727734 0.88 CYP3A4 (0.62) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL26584304 0.88 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL10985139 0.88 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL6916059 0.88 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL9617961 0.86 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL10988523 0.86 ROCK2 (0.79) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL17007472 0.84 MEN1 (0.71) KDM4EMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7318375 0.83 ROCK2 (0.71) ROCK2ROCK1PRKD3PRKCGPRKCB

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.