SCHEMBL20656264

SCHEMBL20656264

CC(C)n1c(=S)[nH]c2cc(C#N)ccc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
ALDH1A1 P00352 4/20 0.57
HPGD P15428 1/20 0.55
PGR P06401 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALK Q9UM73 6/20 0.39
XDH P47989 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL20079374 0.88 ALDH1A1 (0.55) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL18358716 0.83 PSMB8 (0.51) MAPTTHRBALDH1A1PGRMEN1
SCHEMBL20079378 0.82 POLB (0.55) MAPTPGRALKNOS3NOS1
SCHEMBL20079415 0.80 MAPT (0.42) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL20079372 0.74 PGR (0.49) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL18358720 0.73 PSMB8 (0.58) ALDH1A1HPGDPGRL3MBTL1MEN1
SCHEMBL13599975 0.72 ALDH1A1 (1.00) MAPTTHRBALDH1A1HPGDL3MBTL1
SCHEMBL21076113 0.72 MEN1 (0.41) ALDH1A1PGRL3MBTL1ALKMEN1
SCHEMBL7184073 0.71 PGR (0.42) MAPTPGRALKNOS3NOS1
SCHEMBL7176932 0.71 PGR (0.42) MAPTPGRALKNOS3NOS1

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-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 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-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAPT 996/4885THRB 1184/4885ALDH1A1 1436/4885

“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.