SCHEMBL1621771

SCHEMBL1621771

CN(C(=O)CNC(=O)c1cc(C(=N)N)ccc1O)C1CCC(CN)(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.40
F10 P00742 5/20 0.37
PRSS1 P07477 1/20 0.37
DPP4 P27487 2/20 0.36
SMYD3 Q9H7B4 1/20 0.35
F2 P00734 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
HSD11B1 P28845 4/20 0.35
PYGL P06737 3/20 0.34
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL1628215 0.91 F10 (0.37) KCNA3F10PRSS1DPP4SMYD3
SCHEMBL1623568 0.87 F10 (0.50) KCNA3F10PRSS1DPP4F2
SCHEMBL6825848 0.85 KDM4E (0.35) KCNA3F10PRSS1DPP4SMYD3
SCHEMBL1624371 0.77 CFD (0.43) KCNA3DPP4SMYD3
SCHEMBL6972791 0.75 F10 (0.38) F10DPP4SMYD3PYGLKLK1
SCHEMBL5622900 0.73 PLAU (0.39) F10PRSS1DPP4F2PLAU
Hydrochloric Acid SCHEMBL14483114 0.68 DPP4 (0.43) DPP4PYGL
SCHEMBL1624221 0.66 F10 (0.48) F10PRSS1F2
SCHEMBL3133676 0.63 PYGL (0.47) PYGL
SCHEMBL1623787 0.61 F10 (0.52) KCNA3F10PRSS1SMYD3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 US disclosed
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO 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 (3 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 KCNA3 3419/4885F10 378/4885PRSS1 3/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN KCNA3 3220/4885F10 292/4885PRSS1 4/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 KCNA3 3419/4885F10 378/4885PRSS1 3/4885

“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.