SCHEMBL7932191

SCHEMBL7932191

O=C(CS)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 5/20 0.65
SLC1A2 P43004 5/20 0.65
SLC1A1 P43005 5/20 0.65
RAB9A P51151 3/20 0.60
POLB P06746 2/20 0.58
NPC1 O15118 1/20 0.52
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL25601967 0.83 POLB (0.63) SLC1A3SLC1A2SLC1A1RAB9APOLB
SCHEMBL25601954 0.83 POLB (0.63) SLC1A3SLC1A2SLC1A1RAB9APOLB
SCHEMBL21765666 0.79 RAB9A (0.71) SLC1A3SLC1A2SLC1A1RAB9APOLB
SCHEMBL7934939 0.78 TERT (0.55) RAB9APOLBNPC1KMT2AMEN1
SCHEMBL26397634 0.78 RAB9A (0.64) SLC1A3SLC1A2SLC1A1RAB9APOLB
SCHEMBL7934465 0.76 KMT2A (0.73) RAB9APOLBNPC1KMT2AMEN1
SCHEMBL21765857 0.75 RAB9A (1.00) SLC1A3SLC1A2SLC1A1RAB9APOLB
SCHEMBL3976112 0.75 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1RAB9APOLB
SCHEMBL7937669 0.74 NPC1 (0.64) RAB9APOLBNPC1KMT2AMEN1
SCHEMBL3982100 0.74 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1RAB9APOLB

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 SLC1A3 976/4885SLC1A2 901/4885SLC1A1 796/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 SLC1A3 2721/4885SLC1A2 2080/4885SLC1A1 2610/4885

“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.