SCHEMBL6916059

SCHEMBL6916059

O=S(=O)(c1cccc2cnccc12)N1CCCCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.77
ROCK1 Q13464 10/20 0.77
PRKD3 O94806 3/20 0.77
PRKCG P05129 3/20 0.77
PRKCB P05771 3/20 0.77
CYP3A4 P08684 3/20 0.77
PRKCA P17252 3/20 0.77
PRKCH P24723 3/20 0.77
PRKCI P41743 3/20 0.77
PRKCE Q02156 3/20 0.77
PRKCQ Q04759 3/20 0.77
PRKCZ Q05513 3/20 0.77
PRKCD Q05655 3/20 0.77
PRKD1 Q15139 3/20 0.77
ADORA3 P0DMS8 2/20 0.77
PRKACA P17612 2/20 0.77
PRKACG P22612 2/20 0.77
PRKACB P22694 2/20 0.77
CCR2 P41597 2/20 0.77
MEN1 O00255 2/20 0.77

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
SCHEMBL10985139 1.00 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL26584304 1.00 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL9617961 0.99 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL10988523 0.99 ROCK2 (0.79) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL29770053 0.94 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4728462 0.88 ROCK2 (0.65) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL7315948 0.87 PRKD3 (0.74) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL14818897 0.87 ROCK2 (0.67) ROCK2ROCK1PRKD3PRKCGPRKCB
Fasudil SCHEMBL6269832 0.87 ROCK2 (1.00) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL2908265 0.87 ROCK2 (0.67) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201219-A1 METHODS OF TREATING AGITATION AND OTHER DEMENTIA-ASSOCIATED BEHAVIORAL SYMPTOMS WOOLSEY PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-8487004-B2 Local treatment of neurofibromas Nexgenix Pharmaceuticals, Inc. (US) 2013-07-16 US disclosed
US-20120315298-A1 LOCAL TREATMENT OF NEUROFIBROMAS NEXGENIX PHARMACEUTICALS, INC (US) 2012-12-13 US disclosed
US-8211875-B2 Local treatment of neurofibromas Nexgenix Pharmaceuticals Inc (US) 2012-07-03 US disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-20110130388-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AXIAL MYOPIA OSAKA UNIVERSITY (JP) 2011-06-02 US disclosed
US-20110112053-A1 PHARMACOLOGICAL TARGETING OF VASCULAR MALFORMATIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-05-12 US disclosed
US-20100048540-A1 Heterocyclic N-Oxides as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2010-02-25 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 (6 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-20110112053-A1 PHARMACOLOGICAL TARGETING OF VASCULAR MALFORMATIONS RHOA, LIPG, KDR ROCK2 9/4885ROCK1 8/4885PRKD3 459/4885
US-20100048540-A1 Heterocyclic N-Oxides as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, HYOU1 ROCK2 380/4885ROCK1 289/4885PRKD3 369/4885
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ROCK2 2882/4885ROCK1 2635/4885PRKD3 798/4885
US-20110130388-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR AXIAL MYOPIA RHOA, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885PRKD3 217/4885
US-20120315298-A1 LOCAL TREATMENT OF NEUROFIBROMAS VHL, NGF, S100B ROCK2 3862/4885ROCK1 3674/4885PRKD3 3748/4885
US-20230201219-A1 METHODS OF TREATING AGITATION AND OTHER DEMENTIA-ASSOCIATED BEHAVIORAL SYMPTOMS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885PRKD3 221/4885

“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.