SCHEMBL6435958

SCHEMBL6435958

CN(C(=O)C=CC(=O)N1CCN(CC(=O)O)CC1)c1ccc2ccnc(N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.39
KLK1 P06870 3/20 0.39
C1S P09871 1/20 0.34
F10 P00742 2/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
TGM2 P21980 1/20 0.33
TP53BP1 Q12888 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6439665 0.81 C1S (0.46) KLKB1KLK1C1SF10ACACB
SCHEMBL6438212 0.79 KLKB1 (0.39) KLKB1KLK1C1SF10F2
SCHEMBL6442127 0.79 KLKB1 (0.41) KLKB1KLK1C1SF10ACACB
SCHEMBL6435964 0.78 KLKB1 (0.52) KLKB1KLK1
SCHEMBL6435950 0.78 KLKB1 (0.52) KLKB1KLK1
SCHEMBL6442115 0.65 KLKB1 (0.59) KLKB1KLK1
SCHEMBL6438209 0.64 KLKB1 (0.51) KLKB1KLK1F2
SCHEMBL21409810 0.64 F12 (0.48) ALDH1A1
SCHEMBL30676452 0.62 DGAT1 (0.41) KLKB1KLK1F10ACACBACACA
SCHEMBL20557685 0.59 F12 (0.42) KLKB1F10ALDH1A1PRSS1LMNA

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 2985/4885C1S 227/4885

“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.