SCHEMBL7937683

SCHEMBL7937683

O=C(CS)Nc1nccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
POLB P06746 3/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
RAB9A P51151 2/20 0.45
F12 P00748 1/20 0.43
PLAU P00749 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL31606592 0.84 KMT2A (0.50) FDPSKMT2AMAPTMEN1DRD2
SCHEMBL4410540 0.84 KMT2A (0.50) FDPSKMT2AMAPTMEN1DRD2
SCHEMBL17298887 0.83 FDPS (0.48) FDPSPOLBKMT2AMAPTDRD2
SCHEMBL10051128 0.82 FDPS (0.53) FDPSPOLBKMT2AMAPTMEN1
SCHEMBL21879269 0.81 HTT (0.47) FDPSKMT2AMAPTMEN1DRD2
SCHEMBL29825764 0.80 FDPS (0.54) FDPSPOLBKMT2ADRD2DRD4
SCHEMBL7599559 0.80 FDPS (0.54) FDPSPOLBKMT2ADRD2DRD4
SCHEMBL4411955 0.79 FDPS (0.53) FDPSPOLBKMT2AMEN1DRD2
SCHEMBL2361181 0.79 KDM4E (0.56) FDPSMAPTDRD2DRD4DRD3
SCHEMBL5380631 0.78 FDPS (0.51) FDPSPOLBKMT2ADRD2DRD4

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 3 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
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 (1 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-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 FDPS 1685/4885POLB 3799/4885KMT2A 3093/4885

“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.