SCHEMBL5424403

SCHEMBL5424403

CCOc1cc(C=O)c([N+](=O)[O-])cc1OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
MAPT P10636 8/20 0.68
KDM4E B2RXH2 3/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 1/20 0.68
PRKDC P78527 1/20 0.68
HSD17B10 Q99714 1/20 0.68
LMNA P02545 5/20 0.56
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH3A1 P30838 1/20 0.41
GAA P10253 2/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 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
SCHEMBL11555487 0.94 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL22835830 0.88 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL29615996 0.88 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1608774 0.88 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2072748 0.87 MAPT (0.52) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1609308 0.87 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL14294326 0.86 MAPT (0.62) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL24865993 0.84 MAPT (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL30867117 0.84 MAPT (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10702301 0.84 MAPT (0.51) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250447-B2 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. (US) 2007-07-31 US disclosed
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-02-15 US disclosed
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1628954-A2 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIA Genentech, Inc. (US) 2006-03-01 EP disclosed
WO-2004113278-A2 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed
US-20040242585-A1 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. 2004-12-02 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 (5 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-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa TFPI, HABP2, TFPI2 ALDH1A1 2034/4885MAPT 4757/4885KDM4E 1890/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885MAPT 1417/4885KDM4E 1998/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885MAPT 1417/4885KDM4E 1998/4885
US-20040242585-A1 Acylsulfamide inhibitors of factor VIIa TFPI, TFPI2, HABP2 ALDH1A1 1423/4885MAPT 4778/4885KDM4E 2057/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885MAPT 1417/4885KDM4E 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.