SCHEMBL20656265

SCHEMBL20656265

CC(C)n1c(=S)[nH]c2ccc(C#N)c(C#N)c21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
PGR P06401 7/20 0.39
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.33
PSMB8 P28062 1/20 0.33
XDH P47989 1/20 0.32

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
SCHEMBL20079376 0.84 PGR (0.43) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079416 0.84 ALDH1A1 (0.42) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079375 0.81 ALDH1A1 (0.51) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079374 0.72 ALDH1A1 (0.55) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL18358723 0.70 PSMB8 (0.44) ALDH1A1HPGDPGRARPSMB8
SCHEMBL20079372 0.70 PGR (0.49) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079368 0.69 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079377 0.68 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL18358724 0.67 PSMB8 (0.44) ALDH1A1HPGDL3MBTL1MAPTPGR
SCHEMBL25433823 0.67 PGR (0.43) MAPTTHRBPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
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 (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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 ALDH1A1 1436/4885HPGD 1797/4885L3MBTL1 2330/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ALDH1A1 1436/4885HPGD 1797/4885L3MBTL1 2330/4885

“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.