SCHEMBL7936656

SCHEMBL7936656

Cc1cc(NC(=O)CS)n(-c2ccccc2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.72
ALDH1A1 P00352 3/20 0.70
HTT P42858 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.69
ATM Q13315 1/20 0.69
GAA P10253 3/20 0.67
TSHR P16473 3/20 0.65
KCNJ6 P48051 2/20 0.65
KCNJ5 P48544 2/20 0.65
KCNJ3 P48549 2/20 0.65
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60
MEN1 O00255 1/20 0.60
RCE1 Q9Y256 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL7933990 0.86 MEN1 (0.60) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL15717788 0.85 NTRK1 (0.85) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL16595134 0.84 NTRK1 (1.00) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL7933995 0.84 NTRK1 (0.53) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL25793172 0.82 NTRK1 (0.80) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL7934313 0.82 MAPT (0.79) NTRK1ALDH1A1HTTKMT2ALMNA
SCHEMBL21783121 0.81 ABCB1 (0.67) ALDH1A1HTTGAAKMT2ALMNA
SCHEMBL13975495 0.81 NTRK1 (0.78) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL4130247 0.81 SOAT2 (0.75) NTRK1ALDH1A1HTTL3MBTL1ATM
SCHEMBL7932253 0.80 LMNA (0.71) NTRK1ALDH1A1HTTL3MBTL1GAA

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 NTRK1 4503/4885ALDH1A1 496/4885HTT 1082/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NTRK1 1557/4885ALDH1A1 2213/4885HTT 2000/4885

“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.