SCHEMBL4729567

SCHEMBL4729567

O=S(=O)(c1cccc2c(O)nccc12)N1CCCC(Nc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ROCK2 O75116 1/20 0.41
PRKX P51817 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKD1 Q15139 1/20 0.41
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 2/20 0.40
COMT P21964 1/20 0.39
CHRM1 P11229 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4726171 0.88 CCR6 (0.47) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL4727540 0.85 FABP6 (0.47) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL4726942 0.84 TAAR1 (0.46) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL7328966 0.82 ALDH1A1 (0.41) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL4725363 0.81 ROCK2 (0.48) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL4727862 0.81 CYP3A4 (0.56) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL4728460 0.80 ALOX5AP (0.45) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL5080598 0.79 ROCK2 (0.40) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL4728148 0.78 POLB (0.46) SMN1; SMN2ROCK2PRKXPRKCEPRKCD
SCHEMBL9617966 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ROCK2PRKXPRKCEPRKCD

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 SMN1; SMN2 11/4885ROCK2 2320/4885PRKX 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.