SCHEMBL7930564

SCHEMBL7930564

COc1ccc(-c2cc(NC(=O)CS)n[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.65
CSNK2A1 P68400 1/20 0.65
CHRNA3 P32297 3/20 0.63
KCNH2 Q12809 1/20 0.63
NPY5R Q15761 1/20 0.61

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
SCHEMBL6395915 0.84 CSNK2A2 (0.58) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
SCHEMBL13660049 0.84 CHRNA3 (0.71) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
SCHEMBL1856137 0.83 CHRNA3 (0.70) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
SCHEMBL4173930 0.83 CHRNA3 (0.70) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
SCHEMBL1666395 0.83 CSNK2A2 (0.90) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
SCHEMBL7935547 0.82 NPC1 (0.67) NPY5R
SCHEMBL1664964 0.82 CSNK2A2 (0.88) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
SCHEMBL6583002 0.81 NPY5R (0.65) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
Iodide SCHEMBL2378107 0.80 CSNK2A2 (0.62) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R
SCHEMBL6960853 0.79 CSNK2A2 (0.64) CSNK2A2CSNK2A1CHRNA3KCNH2NPY5R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO 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 (2 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 CSNK2A2 2674/4885CSNK2A1 2876/4885CHRNA3 3834/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 CSNK2A2 2173/4885CSNK2A1 2400/4885CHRNA3 58/4885

“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.