SCHEMBL7929906

SCHEMBL7929906

Cc1ccc(-c2csc(NC(=O)CS)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.73
HDAC9 Q9UKV0 1/20 0.73
GSTO1 P78417 1/20 0.64
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
TP53 P04637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 9/20 0.60
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
LMNA P02545 5/20 0.60
KDM4E B2RXH2 3/20 0.60
GAA P10253 2/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 1/20 0.59
KDM4C Q9H3R0 1/20 0.59
POLB P06746 2/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL14085825 0.87 HDAC1 (0.67) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL7930002 0.86 GAA (0.60) HDAC1HDAC9ALDH1A1SMN1; SMN2NPSR1
SCHEMBL21226526 0.86 HDAC1 (0.66) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL7930531 0.86 ABL1 (0.68) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL28643881 0.86 HDAC1 (0.66) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL4420194 0.85 HDAC1 (0.65) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL10811295 0.84 GSTO1 (0.72) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL10925697 0.84 GSTO1 (0.72) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL22753355 0.84 HDAC1 (0.63) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2
SCHEMBL21484709 0.83 ABL1 (0.69) HDAC1HDAC9GSTO1ALDH1A1SMN1; SMN2

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 HDAC1 137/4885HDAC9 302/4885GSTO1 661/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HDAC1 4782/4885HDAC9 3498/4885GSTO1 3336/4885

“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.