SCHEMBL7929903

SCHEMBL7929903

Cc1cc(NC(=O)CS)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
POLB P06746 2/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.51
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL14426539 0.85 CYP3A4 (0.75) NPC1POLBMAPTMEN1KMT2A
SCHEMBL7081917 0.85 NPC1 (0.61) NPC1POLBMAPTKMT2ACYP3A4
SCHEMBL7932797 0.84 CYP3A4 (0.69) NPC1POLBMAPTMEN1KMT2A
SCHEMBL2639132 0.84 POLB (0.76) NPC1POLBMAPTMEN1KMT2A
SCHEMBL11667316 0.83 NPC1 (0.59) NPC1POLBMAPTMEN1KMT2A
SCHEMBL14426543 0.81 KDM4E (0.67) NPC1POLBMAPTMEN1KMT2A
SCHEMBL14426553 0.81 HPGD (0.78) NPC1POLBMAPTKMT2AL3MBTL1
SCHEMBL14426565 0.81 NPC1 (0.57) NPC1POLBMAPTMEN1KMT2A
SCHEMBL14426554 0.81 NPC1 (0.60) NPC1POLBMAPTMEN1KMT2A
SCHEMBL2093174 0.80 NPC1 (0.59) NPC1POLBMAPTMEN1KMT2A

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 428/4885POLB 1320/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NPC1 4147/4885POLB 3799/4885MAPT 2849/4885

“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.