SCHEMBL7936661

SCHEMBL7936661

COc1cc(NC(=O)CS)c(OC)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
ALDH1A1 P00352 4/20 0.64
NPSR1 Q6W5P4 3/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
STAT3 P40763 1/20 0.53

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
SCHEMBL29466463 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL1118436 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL27896148 0.84 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL24499459 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL30668842 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL9298896 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL7931375 0.80 KMT2A (0.80) SMN1; SMN2ALDH1A1NPSR1LMNAKDM4E
SCHEMBL15434035 0.79 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1NPSR1TSHRLMNA
SCHEMBL3309810 0.78 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1NPSR1LMNAKDM4E
SCHEMBL31570092 0.78 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD

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 313/4885ALDH1A1 496/4885NPSR1 1821/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 SMN1; SMN2 120/4885ALDH1A1 2213/4885NPSR1 367/4885

“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.