SCHEMBL5882361

SCHEMBL5882361

Cc1cc(C(Nc2ccc(C#N)cc2)C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
VCAM1 P19320 1/20 0.38
TSHR P16473 1/20 0.38
MMP2 P08253 2/20 0.37
HTT P42858 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MERTK Q12866 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL5882136 0.87 MMP2 (0.45) MAPTMEN1KMT2ATSHRMMP2
SCHEMBL5883020 0.84 HTT (0.43) MAPTTHRBMEN1KMT2AMMP2
SCHEMBL5882510 0.84 F2 (0.39) MAPTTHRBMEN1KMT2AVCAM1
SCHEMBL5883111 0.82 MMP2 (0.41) MAPTMEN1KMT2ATSHRMMP2
SCHEMBL5882702 0.82 MMP2 (0.41) MAPTMEN1KMT2ATSHRMMP2
SCHEMBL5882870 0.80 MAPT (0.44) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL5882113 0.79 F10 (0.42) MAPTMEN1KMT2AMMP2HTT
SCHEMBL5882094 0.78 F10 (0.39) MAPTMEN1KMT2AMMP2HTT
SCHEMBL5882717 0.77 F10 (0.41) MAPTMEN1KMT2AMMP2ALDH1A1
SCHEMBL5882517 0.76 GFER (0.43) MAPTMEN1KMT2ATSHRMMP2

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 MAPT 1417/4885THRB 3878/4885MEN1 604/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885THRB 3878/4885MEN1 604/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPT 1417/4885THRB 3878/4885MEN1 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.