SCHEMBL5882319

SCHEMBL5882319

N#Cc1ccc(NC(C(=O)O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
KLKB1 P03952 1/20 0.47
PRSS1 P07477 1/20 0.47
RCE1 Q9Y256 1/20 0.43
MMP2 P08253 1/20 0.42
KAT6A Q92794 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MAPT P10636 3/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
S1PR4 O95977 1/20 0.38
S1PR1 P21453 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
SCHEMBL5882595 0.85 AKR1C3 (0.51) PLAUMAPTCA1ALDH1A1LMNA
SCHEMBL5882367 0.84 MMP2 (0.50) KMT2ARAB9AMEN1NPC1F2
SCHEMBL5882357 0.80 MMP2 (0.43) KMT2ARAB9AMEN1F2PRSS1
SCHEMBL5882952 0.80 S1PR3 (0.51) KMT2AMEN1MMP2MAPTS1PR4
SCHEMBL5882891 0.79 CPN1 (0.43) KMT2ARAB9AMEN1NPC1F2
SCHEMBL5882664 0.79 MMP2 (0.40) KMT2AMEN1PRSS1RCE1MMP2
SCHEMBL5882459 0.78 MAPT (0.44) KMT2AMEN1PRSS1MMP2FNTA
SCHEMBL5881903 0.78 F7 (0.59) F2PLGPLAUKLKB1PRSS1
SCHEMBL5882906 0.77 F10 (0.40) KMT2AMEN1F2PRSS1MMP2
SCHEMBL5882975 0.77 MMP2 (0.40) KMT2AMEN1F2PRSS1RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KMT2A 3023/4885RAB9A 1477/4885MEN1 604/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KMT2A 3023/4885RAB9A 1477/4885MEN1 604/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KMT2A 3023/4885RAB9A 1477/4885MEN1 604/4885

“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.