SCHEMBL5883304

SCHEMBL5883304

CCOC(=O)C(Nc1ccc(C=NNC(=O)OC(C)(C)C)cc1)c1cc(OCC)ccc1OCCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 7/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MIF P14174 2/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
RECQL P46063 2/20 0.41
HTT P42858 1/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5882257 0.85 KMT2A (0.44) ALDH1A1KMT2AKDM4EMAPTNPC1
SCHEMBL5883301 0.83 F10 (0.39) KMT2AMAPTMEN1GAA
SCHEMBL5882685 0.80 KDM4E (0.47) ALDH1A1KMT2AKDM4EMAPTNPC1
SCHEMBL5883297 0.79 KMT2A (0.46) ALDH1A1KMT2AKDM4EMAPTNPC1
SCHEMBL5882802 0.78 KDM4E (0.50) ALDH1A1KMT2AKDM4EMAPTNPC1
SCHEMBL5882330 0.77 CYSLTR2 (0.42) KMT2AMAPTMEN1GAA
SCHEMBL5883271 0.77 CYP1A2 (0.47) ALDH1A1KMT2AKDM4EMAPTNPC1
SCHEMBL5882567 0.74 MAPT (0.46) ALDH1A1KMT2AKDM4EMAPTNPC1
SCHEMBL6866653 0.74 F10 (0.56) ALDH1A1KMT2AKDM4EMAPTNPC1
SCHEMBL5882884 0.70 F10 (0.61)

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 ALDH1A1 2850/4885KMT2A 3023/4885KDM4E 1998/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KMT2A 3023/4885KDM4E 1998/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885KMT2A 3023/4885KDM4E 1998/4885

“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.