SCHEMBL4728148

SCHEMBL4728148

CN(C)C1CCCN(S(=O)(=O)c2cccc3c(O)nccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
PRKX P51817 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
COMT P21964 4/20 0.41
CHRM1 P11229 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 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
SCHEMBL4782719 0.88 POLB (0.51) POLBKMT2AATMSMN1; SMN2ROCK2
SCHEMBL4725363 0.84 ROCK2 (0.48) POLBKMT2AATMSMN1; SMN2ROCK2
SCHEMBL2962716 0.81 ALOX5AP (0.44) POLBROCK2ROCK1COMTALDH1A1
SCHEMBL2958858 0.81 ALOX5AP (0.44) POLBROCK2ROCK1COMTALDH1A1
SCHEMBL2958861 0.81 ALOX5AP (0.44) POLBROCK2ROCK1COMTALDH1A1
SCHEMBL9617966 0.80 SMN1; SMN2 (0.67) KMT2AATMSMN1; SMN2ROCK2ROCK1
SCHEMBL4726515 0.80 ROCK2 (0.68) KMT2ASMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL27561615 0.79 CNR1 (0.44) POLBKMT2AATMSMN1; SMN2ROCK2
SCHEMBL7328966 0.79 ALDH1A1 (0.41) KMT2ASMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL4728648 0.79 ROCK2 (0.45) SMN1; SMN2ROCK2ROCK1PRKXPRKCE

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 3 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
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 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 (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 POLB 781/4885KMT2A 1354/4885ATM 2680/4885

“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.