SCHEMBL1623719

SCHEMBL1623719

CC(NC(=O)CN(C(=O)c1cccc(C(=N)N)c1)c1ccccc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
F10 P00742 5/20 0.43
PRSS1 P07477 4/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
F2 P00734 2/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL1624321 0.81 F10 (0.51) F10PRSS1HDAC6F2SMN1; SMN2
SCHEMBL1623772 0.79 F7 (0.47) F10PRSS1F2TSHRPLAU
SCHEMBL1624324 0.79 MAPT (0.43) NPSR1F10PRSS1HDAC1HDAC6
SCHEMBL1624480 0.79 GAA (0.45) F10PRSS1F2KMT2APLAU
SCHEMBL1623020 0.78 F10 (0.56) F10PRSS1F2PLAU
SCHEMBL1625271 0.78 PLAU (0.44) F10PRSS1HDAC1HDAC6F2
SCHEMBL1624367 0.77 TSHR (0.47) F10PRSS1HDAC1HDAC6F2
SCHEMBL1626370 0.77 HPGDS (0.50) F10PRSS1F2TMPRSS6
SCHEMBL1622099 0.76 PRSS1 (0.44) NPSR1F10PRSS1HDAC1HDAC6
SCHEMBL1625707 0.75 F2 (0.53) F10PRSS1F2PLAU

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 7 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

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 NPSR1 1741/4885F10 378/4885PRSS1 3/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN NPSR1 1443/4885F10 292/4885PRSS1 4/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 NPSR1 1741/4885F10 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.