SCHEMBL8445292

SCHEMBL8445292

NC(=S)N/N=C(\Cc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.74
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CTSB P07858 2/20 0.55

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
SCHEMBL8445293 0.87 CTSL (0.75) CTSLCTSB
SCHEMBL27950773 0.85 CTSL (1.00) CTSLALDH1A1LMNAGAAHTT
SCHEMBL6338417 0.83 CTSL (0.64) CTSLCTSB
SCHEMBL8445279 0.81 CTSL (0.65) CTSLCTSB
SCHEMBL6337559 0.80 CTSL (0.80) CTSLCTSB
SCHEMBL2675161 0.80 CTSL (0.80) CTSLCTSB
SCHEMBL8445285 0.78 CTSL (0.60) CTSLCTSB
SCHEMBL8445278 0.78 CTSL (0.59) CTSLCTSB
SCHEMBL2675409 0.78 CTSL (0.86) CTSLCTSB
SCHEMBL8589273 0.76 CTSL (0.63) CTSLCTSB

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-7495023-B2 Thio semicarbazone and semicarbozone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-24 US disclosed
US-20040014801-A1 Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-22 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-20040014801-A1 Thio semicarbazone and semicarbazone inhibitors of cysteine proteases and methods of their use CTSB, CTSS, CTSL CTSL 3/4885ALDH1A1 1366/4885LMNA 2675/4885

“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.