SCHEMBL5883322

SCHEMBL5883322

COc1cc(C=O)c(-c2noc(C)n2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 10/20 0.43
PRKDC P78527 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
S1PR1 P21453 1/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ERN1 O75460 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8041102 0.89 ERN1 (0.41) KDM4EALDH1A1TSHRTDP1MAPT
SCHEMBL1617850 0.85 MAPT (0.47) KDM4EALDH1A1MAPTL3MBTL1HSD17B10
SCHEMBL12717300 0.85 MAPT (0.47) KDM4EALDH1A1MAPTL3MBTL1HSD17B10
SCHEMBL1618138 0.77 MAPT (0.42) KDM4EALDH1A1TSHRMAPTL3MBTL1
SCHEMBL1617933 0.75 ERN1 (0.48) KDM4EALDH1A1TSHRMAPTL3MBTL1
SCHEMBL12717346 0.74 MAPT (0.46) KDM4EALDH1A1TSHRMAPTL3MBTL1
SCHEMBL8037443 0.72 MAPT (0.40) KDM4EALDH1A1TSHRMAPTL3MBTL1
SCHEMBL29133152 0.71 NPC1 (0.45) KDM4EALDH1A1TSHRMAPTL3MBTL1
SCHEMBL1250902 0.70 SMN1; SMN2 (0.67) KDM4EALDH1A1TSHRMAPTL3MBTL1
SCHEMBL14363621 0.70 HTT (0.68) KDM4EALDH1A1TSHRMAPTL3MBTL1

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 KDM4E 1998/4885ALDH1A1 2850/4885TSHR 3764/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885ALDH1A1 2850/4885TSHR 3764/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885ALDH1A1 2850/4885TSHR 3764/4885

“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.