SCHEMBL1622865

SCHEMBL1622865

N=C(N)c1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.NC(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.45
F2 P00734 3/20 0.44
POLB P06746 1/20 0.42
SLC6A7 Q99884 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL1623532 0.87 USP2 (0.47) MAPK1LMNATSHRF2HTR1A
SCHEMBL1625114 0.86 F2 (0.54) MAPK1LMNATSHRCYP3A4CYP2C9
SCHEMBL1624326 0.85 F10 (0.48) MAPK1SMN1; SMN2LMNATSHRMEN1
SCHEMBL6981791 0.84 KMT2A (0.44) KDM4EMAPK1SMN1; SMN2LMNATSHR
SCHEMBL1623950 0.83 F2 (0.46) HPGDALDH1A1F2POLB
SCHEMBL1624262 0.83 F2 (0.42) KDM4EMEN1KMT2AALDH1A1F2
SCHEMBL1622680 0.83 ITGB3 (0.44) MAPK1LMNATSHRF2HTR1A
SCHEMBL1622452 0.83 F2 (0.54) KDM4EMAPK1SMN1; SMN2LMNATSHR
SCHEMBL1622843 0.83 F2 (0.54) MAPK1LMNATSHRMEN1KMT2A
SCHEMBL1623269 0.83 HTR1A (0.56) KDM4EMAPK1SMN1; SMN2LMNATSHR

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 KDM4E 2085/4885MAPK1 1332/4885SMN1; SMN2 1502/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN KDM4E 1475/4885MAPK1 2500/4885SMN1; SMN2 1791/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 KDM4E 2085/4885MAPK1 1332/4885SMN1; SMN2 1502/4885

“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.