SCHEMBL5882851

SCHEMBL5882851

[CH2]COc1c(CC=C)cc(Cl)cc1C(Nc1ccc(C#N)cc1)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MCL1 Q07820 1/20 0.35
MAPT P10636 5/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 4/20 0.33
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
NLRP3 Q96P20 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
MMP2 P08253 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31

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
SCHEMBL5883143 0.86 KMT2A (0.36) KMT2AMEN1MCL1MAPTALDH1A1
SCHEMBL5882374 0.85 F7 (0.43) MAPTTHRBKDM4E
SCHEMBL5883108 0.81 PTGDR2 (0.37) KMT2AMEN1MCL1MAPTALDH1A1
SCHEMBL5882849 0.76 IDO1 (0.36) KMT2AMEN1MAPTTHRBKDM4E
SCHEMBL5883061 0.76 AR (0.34) KMT2AMEN1MCL1MAPTALDH1A1
SCHEMBL5882217 0.74 MMP2 (0.33) KMT2AMEN1MCL1MAPTNLRP3
SCHEMBL5883577 0.73 CXCR5 (0.39) KMT2AMEN1MCL1MAPTALDH1A1
SCHEMBL5882935 0.73 MAPT (0.33) KMT2AMEN1MCL1MAPTHTT
SCHEMBL7419688 0.73 FNTA (0.31) KMT2AMEN1MAPT
SCHEMBL5882586 0.73 F7 (0.45)

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 3023/4885MEN1 604/4885MCL1 2646/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KMT2A 3023/4885MEN1 604/4885MCL1 2646/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KMT2A 3023/4885MEN1 604/4885MCL1 2646/4885

“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.