SCHEMBL25680933

SCHEMBL25680933

Cc1nn(C)cc1[SH](C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
LRRK2 Q5S007 1/20 0.31
LMNA P02545 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL20261002 0.79 ALDH1A1 (0.36) COMTALDH1A1GAAMAPTHTT
SCHEMBL25725285 0.71 PAK4 (0.33)
SCHEMBL953920 0.67 COMT (0.36) COMTALDH1A1GAAMAPTHTT
SCHEMBL20260595 0.65
SCHEMBL1197539 0.65
SCHEMBL20859661 0.65
SCHEMBL690803 0.65
SCHEMBL15423387 0.65
SCHEMBL27215906 0.64 ALDH1A1 (0.41) COMTALDH1A1GAAMAPTHTT
Hydrochloric Acid SCHEMBL15995645 0.63 ALDH1A1 (0.44) COMTALDH1A1GAAMAPTHTT

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-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 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-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B COMT 180/4885ALDH1A1 2661/4885GAA 806/4885

“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.