SCHEMBL7932269

SCHEMBL7932269

O=C(CS)Nc1nc2c(Cl)cccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ACP1 P24666 1/20 0.54
ALOX15 P16050 1/20 0.52
SENP7 Q9BQF6 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
POLA1 P09884 1/20 0.51
NPC1 O15118 2/20 0.50

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
SCHEMBL4861743 0.87 GAA (0.62) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL9332450 0.87 GAA (0.62) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL8354836 0.86 GAA (0.61) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL10939456 0.85 GAA (0.63) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL4858670 0.84 GAA (0.58) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL7933623 0.83 LMNA (0.69) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL8356415 0.83 GAA (0.57) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL30754208 0.81 DYRK1A (0.71) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL9332147 0.81 GAA (0.58) GAAKMT2AMEN1MAPK1LMNA
SCHEMBL7931743 0.80 DYRK1A (0.72) GAAKMT2AMEN1MAPK1LMNA

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 GAA 43/4885KMT2A 799/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 GAA 112/4885KMT2A 3093/4885MEN1 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.