SCHEMBL20079415

SCHEMBL20079415

CC(C)n1c(=S)[nH]c2cc(CC(C)n3c(=S)[nH]c4cc(C#N)ccc43)cc(C#N)c21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.37
PGR P06401 4/20 0.34
ALK Q9UM73 5/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20656264 0.80 MAPT (0.61) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL21413066 0.78
SCHEMBL20079374 0.70 ALDH1A1 (0.55) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL18358716 0.69 PSMB8 (0.51) MAPTTHRBALDH1A1PGRMEN1
SCHEMBL20079378 0.68 POLB (0.55) MAPTPGRALK
SCHEMBL20079375 0.68 ALDH1A1 (0.51) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL20656265 0.64 ALDH1A1 (0.43) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL21413065 0.64 ALDH1A1 (0.52) MAPTTHRBALDH1A1HPGDPGR
SCHEMBL20079414 0.64 PGR (0.35) PGR
SCHEMBL22064988 0.64 PGR (0.36) PGR

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-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 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.