SCHEMBL7936649

SCHEMBL7936649

Cc1ccc(C#N)c(NC(=O)CS)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.43
NLRP3 Q96P20 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL22979249 0.82 GAA (0.51) KMT2ALMNAALDH1A1GAAKDM4E
SCHEMBL12354957 0.82 ALDH1A1 (0.61) KMT2ALMNAALDH1A1GAAKDM4E
SCHEMBL13481166 0.81 ALDH1A1 (0.50) KMT2ALMNAALDH1A1GAAKDM4E
SCHEMBL404755 0.80 HPGD (0.64) KMT2ALMNAALDH1A1GAAKDM4E
SCHEMBL21561682 0.79 HDAC3 (0.62) KMT2ALMNAALDH1A1MEN1NLRP3
SCHEMBL7505227 0.79 CYP1A2 (0.67) KMT2ALMNAALDH1A1GAAKDM4E
SCHEMBL29040080 0.77 GAA (0.54) KMT2ALMNAGAAKDM4ETSHR
SCHEMBL7932232 0.76 ALDH1A1 (0.54) KMT2AALDH1A1GAAHTTMEN1
SCHEMBL13756114 0.76 JAK3 (0.46) KMT2ALMNAALDH1A1GAAKDM4E
SCHEMBL5805432 0.76 KMT2A (0.77) KMT2ALMNAALDH1A1GAAHPGD

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 799/4885LMNA 1805/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885LMNA 1069/4885ALDH1A1 2213/4885

“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.