SCHEMBL7933990

SCHEMBL7933990

Cc1cc(NC(=O)CS)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
THRB P10828 1/20 0.57
MAPT P10636 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
HTT P42858 1/20 0.54
NTRK1 P04629 2/20 0.54
ATM Q13315 1/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 3/20 0.50

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
SCHEMBL7936656 0.86 NTRK1 (0.72) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL7933995 0.76 NTRK1 (0.53) KMT2AALDH1A1L3MBTL1LMNAMAPT
SCHEMBL4054109 0.76 MEN1 (0.62) MEN1KMT2AMAPTHPGDNTRK1
SCHEMBL8351719 0.75 GAA (0.61) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7932259 0.75 SMN1; SMN2 (0.60) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL4463042 0.75 KMT2A (0.65) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL13234479 0.74 KCNJ6 (0.83) MEN1KMT2AMAPTHPGDNTRK1
SCHEMBL7932253 0.73 LMNA (0.71) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL4050389 0.73 P2RY12 (0.61) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL20413688 0.72 HPGD (0.69) MEN1KMT2AALDH1A1L3MBTL1LMNA

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 6 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-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
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 MEN1 938/4885KMT2A 799/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885KMT2A 3093/4885ALDH1A1 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.