SCHEMBL7933385

SCHEMBL7933385

Cc1cc(Br)cnc1NC(=O)CS

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 3/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL2325843 0.84 ALDH1A1 (0.47) ALDH1A1MAPTNPC1GAAMEN1
SCHEMBL25249356 0.82 L3MBTL1 (0.47) ALDH1A1MAPTNPC1GAAMEN1
SCHEMBL31020123 0.82 L3MBTL1 (0.47) ALDH1A1MAPTNPC1GAAMEN1
SCHEMBL25366886 0.82 NPC1 (0.49) ALDH1A1MAPTNPC1GAALMNA
SCHEMBL31241017 0.81 RAB9A (0.58) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL760353 0.80 NPC1 (0.48) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL17593229 0.79 NPC1 (0.47) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL7932255 0.78 MAPT (0.46) ALDH1A1MAPTNPC1GAAMEN1
SCHEMBL2320108 0.77 ALDH1A1 (0.56) ALDH1A1NPC1GAAMEN1KMT2A
SCHEMBL18370193 0.75 NPC1 (0.47) ALDH1A1NPC1RAB9A

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 ALDH1A1 496/4885MAPT 1781/4885NPC1 428/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885MAPT 2849/4885NPC1 4147/4885

“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.