SCHEMBL12045486

SCHEMBL12045486

CNC(=S)N/N=C(C)/C(C)=N/NC(=S)Nc1ccc(S)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALOX12 P18054 2/20 0.40
TOP2A P11388 1/20 0.39

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
SCHEMBL12727664 0.92 GAA (0.50) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL8210672 0.84 GAA (0.58) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL25342487 0.82 GAA (0.51) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL12026292 0.80 PLK1 (0.43) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL12026317 0.79 RRM1 (0.54) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL17166582 0.79 GAA (0.48) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL12026319 0.79 GAA (0.49) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL12026303 0.76 GAA (0.46) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL8223150 0.76 GAA (0.60) GAANPSR1TDP1ALDH1A1MAPT
SCHEMBL12026302 0.76 MAPT (0.54) GAANPSR1TDP1ALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110305632-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICAL BIS(THIOSEMICARBAZONES) THE UNIVERSITY OF MELBOURNE (AU) 2011-12-15 US 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-20110305632-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICAL BIS(THIOSEMICARBAZONES) TST, TBCB, TPMT GAA 2112/4885NPSR1 1933/4885TDP1 2894/4885

“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.