SCHEMBL7930452

SCHEMBL7930452

N#Cc1cc(NC(=O)CS)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.54
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AKT1 P31749 1/20 0.49
KCNH2 Q12809 1/20 0.47
AR P10275 1/20 0.47
BLM P54132 1/20 0.46
WRN Q14191 1/20 0.46
TSHR P16473 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
SCHEMBL31703118 0.85 GRM4 (0.58) GRM4AKT1KCNH2ARBLM
SCHEMBL24061321 0.85 TSHR (0.61) GRM4MEN1POLBMAPTKMT2A
SCHEMBL4219043 0.85 GRM4 (0.54) GRM4AKT1KCNH2ARBLM
SCHEMBL7930538 0.82 POLB (0.50) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL4900667 0.81 GRM4 (0.59) GRM4AKT1KCNH2ARBLM
SCHEMBL3554749 0.80 ALDH1A1 (0.63) GRM4MEN1POLBMAPTKMT2A
SCHEMBL12354889 0.79 ALDH1A1 (0.56) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL12777490 0.77 GRM4 (0.56) GRM4L3MBTL1ARBLMWRN
SCHEMBL3008351 0.77 GRM4 (0.56) GRM4MAPTKCNH2ARBLM
SCHEMBL29824380 0.77 GRM4 (0.56) GRM4MEN1MAPTKMT2AKCNH2

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 GRM4 2260/4885MEN1 938/4885POLB 1320/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 GRM4 2089/4885MEN1 1392/4885POLB 3799/4885

“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.