SCHEMBL7933993

SCHEMBL7933993

O=C(CS)NCc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
HPGD P15428 2/20 0.56
HSD17B2 P37059 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL11704890 0.87 NPC1 (0.47) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL7935337 0.86 P2RX7 (0.53) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL8740727 0.84 NPC1 (0.70) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL30823579 0.82 NPC1 (0.68) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL2910835 0.82 HTT (0.71) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL28822079 0.82 NPC1 (0.68) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL30259918 0.82 HTT (0.71) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL11589808 0.81 NPC1 (0.72) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL30858769 0.81 NPC1 (1.00) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL23933076 0.81 NPC1 (0.66) NPC1RAB9AMEN1KMT2AHTT

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 NPC1 428/4885RAB9A 3098/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NPC1 4147/4885RAB9A 1619/4885MEN1 1392/4885

“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.