SCHEMBL7930538

SCHEMBL7930538

Cc1ccc(NC(=O)CS)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACP1 P24666 1/20 0.47
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
ALDH1A1 P00352 5/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13384768 0.86 CYP1A2 (0.58) POLBKMT2AMAPTMEN1ACP1
SCHEMBL4224722 0.85 POLB (0.50) POLBKMT2AMAPTMEN1ACP1
SCHEMBL29177229 0.82 ALDH1A1 (0.50) POLBKMT2AACP1PTPN7PTPN12
SCHEMBL7930452 0.82 GRM4 (0.54) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL22078587 0.81 ALDH1A1 (0.65) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL2639132 0.80 POLB (0.76) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL12354889 0.79 ALDH1A1 (0.56) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL7930525 0.78 ALDH1A1 (0.69) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL7923958 0.76 KMT2A (0.68) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL31415368 0.75 CA12 (0.52) ALDH1A1GAA

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 POLB 1320/4885KMT2A 799/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 POLB 3799/4885KMT2A 3093/4885MAPT 2849/4885

“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.