SCHEMBL1622099

SCHEMBL1622099

N=C(N)c1cccc(C(=O)N(CC(=O)NC2CCC(CC3CCC(N)CC3)CC2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.44
PRSS2 P07478 7/20 0.44
PRSS3 P35030 7/20 0.44
ST14 Q9Y5Y6 7/20 0.44
F2 P00734 7/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMYD3 Q9H7B4 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F10 P00742 3/20 0.39
CCR2 P41597 1/20 0.39
HPN P05981 1/20 0.38
HGFAC Q04756 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38

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
SCHEMBL1624324 0.82 MAPT (0.43) PRSS1PRSS2PRSS3ST14F2
SCHEMBL1623020 0.81 F10 (0.56) PRSS1F2F10
SCHEMBL1624063 0.77 KMT2A (0.41) F2KMT2AF10
SCHEMBL1623001 0.77 KDM1A (0.44) F2NPSR1
SCHEMBL1624321 0.77 F10 (0.51) PRSS1PRSS2PRSS3ST14F2
SCHEMBL1623719 0.76 NPSR1 (0.44) PRSS1F2HDAC1HDAC6NPSR1
SCHEMBL1624558 0.75 DHODH (0.52) MEN1KMT2A
SCHEMBL1625707 0.74 F2 (0.53) PRSS1PRSS2PRSS3F2F10
SCHEMBL1624813 0.73 ALDH1A1 (0.51) HDAC1HDAC6MEN1KMT2AF10
SCHEMBL1623772 0.72 F7 (0.47) PRSS1F2F10

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 PRSS1 3/4885PRSS2 9/4885PRSS3 10/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN PRSS1 4/4885PRSS2 10/4885PRSS3 12/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 PRSS1 3/4885PRSS2 9/4885PRSS3 10/4885

“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.