SCHEMBL7932279

SCHEMBL7932279

O=C(CS)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.76
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
ALDH1A1 P00352 3/20 0.70
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL21067416 0.86 LTA4H (1.00) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8285853 0.85 MEN1 (0.60) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3224230 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4075780 0.85 LTA4H (0.84) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5659338 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2170643 0.85 LTA4H (0.76) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7933622 0.84 LTA4H (0.61) LTA4HMEN1KMT2A
SCHEMBL4666205 0.84 RAB9A (0.74) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3505916 0.84 LTA4H (0.78) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL21295527 0.83 MEN1 (0.77) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1

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 LTA4H 184/4885RAB9A 3098/4885SMN1; SMN2 313/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 LTA4H 207/4885RAB9A 1619/4885SMN1; SMN2 120/4885

“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.