SCHEMBL3154156

SCHEMBL3154156

CNC(Cc1ccccc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.50
CTSB P07858 4/20 0.50
KLK1 P06870 3/20 0.49
CTSV O60911 5/20 0.48
CTSL P07711 5/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 3/20 0.48
HTRA1 Q92743 1/20 0.47

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
SCHEMBL1431801 1.00 KLKB1 (0.50) KLKB1CTSBKLK1CTSVCTSL
SCHEMBL3137925 0.91 KLKB1 (0.53) KLKB1KLK1
SCHEMBL3137935 0.91 KLKB1 (0.53) KLKB1KLK1
SCHEMBL1901841 0.90 CTSB (0.48) KLKB1CTSBKLK1CTSVCTSL
SCHEMBL1901838 0.90 CTSB (0.48) KLKB1CTSBKLK1CTSVCTSL
SCHEMBL3138289 0.89 KLKB1 (0.53) KLKB1KLK1
SCHEMBL3138276 0.89 KLKB1 (0.53) KLKB1KLK1
SCHEMBL1433146 0.88 CTSB (0.48) KLKB1CTSBKLK1CTSVCTSL
SCHEMBL3141558 0.88 CTSB (0.48) KLKB1CTSBKLK1CTSVCTSL
SCHEMBL3141395 0.88 CTSB (0.45) KLKB1CTSBKLK1CTSVCTSL

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 KLKB1 3491/4885CTSB 2784/4885KLK1 3749/4885

“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.