SCHEMBL7932259

SCHEMBL7932259

Cc1cc(NC(=O)CS)n(C)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
KDM1A O60341 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
NTRK1 P04629 1/20 0.40

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
SCHEMBL6361845 0.84 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL11200266 0.84 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL4009660 0.83 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL9164082 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL12630088 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL3085802 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL3774089 0.80 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL48934 0.78 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2AHTTKDM4E
SCHEMBL7936656 0.77 NTRK1 (0.72) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL2631528 0.77 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AHTTKDM4E

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 SMN1; SMN2 313/4885MEN1 938/4885KMT2A 799/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 SMN1; SMN2 120/4885MEN1 1392/4885KMT2A 3093/4885

“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.