SCHEMBL7936658

SCHEMBL7936658

CC(=O)Nc1ccc(Cl)c(NC(=O)CS)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.51
PYGL P06737 1/20 0.51
POLB P06746 3/20 0.49
RORC P51449 1/20 0.48
CYP3A4 P08684 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL3791892 0.85 ALDH1A1 (0.60) KMT2AALDH1A1MEN1PYGLRORC
SCHEMBL7932232 0.80 ALDH1A1 (0.54) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL8919414 0.79 HTT (0.54) KMT2AALDH1A1PYGLPOLBRORC
SCHEMBL7934469 0.79 POLB (0.77) KMT2AALDH1A1MEN1POLBCYP3A4
SCHEMBL11636304 0.79 ALDH1A1 (0.58) KMT2AALDH1A1MEN1PYGLPOLB
SCHEMBL5804324 0.78 SMN1; SMN2 (0.59) KMT2AALDH1A1MEN1POLBCYP3A4
SCHEMBL1143844 0.78 MEN1 (0.54) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL7932797 0.77 CYP3A4 (0.69) KMT2AALDH1A1MEN1POLBCYP3A4
SCHEMBL7929903 0.76 NPC1 (0.59) KMT2AALDH1A1MEN1POLBCYP3A4
SCHEMBL1509808 0.76 MAPT (0.51) KMT2AALDH1A1MEN1POLBL3MBTL1

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 KMT2A 799/4885ALDH1A1 496/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885ALDH1A1 2213/4885MEN1 1392/4885

“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.