SCHEMBL6442115

SCHEMBL6442115

Nc1nccc2ccc(CNC(=O)c3cccc(C(=O)N4CCN(CC(=O)O)CC4)c3)cc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.59
KLK1 P06870 16/20 0.59
MAP4K1 Q92918 2/20 0.45

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
SCHEMBL6439659 0.92 KLKB1 (0.61) KLKB1KLK1MAP4K1
SCHEMBL6435950 0.79 KLKB1 (0.52) KLKB1KLK1
SCHEMBL6435964 0.79 KLKB1 (0.52) KLKB1KLK1
SCHEMBL6442127 0.79 KLKB1 (0.41) KLKB1KLK1
SCHEMBL6438209 0.77 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17818629 0.75 KLKB1 (1.00) KLKB1KLK1
SCHEMBL30885298 0.74 RAB9A (0.52) KLKB1KLK1
SCHEMBL27201339 0.74 RAB9A (0.52) KLKB1KLK1
SCHEMBL17818616 0.74 KLKB1 (1.00) KLKB1KLK1
SCHEMBL6439665 0.72 C1S (0.46) KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 KLKB1 2515/4885KLK1 2985/4885MAP4K1 3408/4885

“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.