SCHEMBL3464778

SCHEMBL3464778

CCOc1cc(C=O)ccc1OCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 4/20 0.59
HPGD P15428 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
FDPS P14324 1/20 0.56
TACR2 P21452 1/20 0.56
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.48
KMT2A Q03164 1/20 0.48
TOP2A P11388 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
POLB P06746 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL1515873 0.87 FDPS (0.67) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL2246621 0.87 FDPS (0.77) ALDH1A1MAPTHPGDL3MBTL1NPSR1
SCHEMBL13143330 0.86 FDPS (0.61) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL30159697 0.86 ALDH1A1 (0.73) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL493684 0.86 ALDH1A1 (0.73) ALDH1A1MAPTHPGDTDP1L3MBTL1
Hydrochloric Acid SCHEMBL5692390 0.85 FDPS (0.74) ALDH1A1MAPTHPGDL3MBTL1NPSR1
SCHEMBL4948728 0.84 ALDH1A1 (0.64) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL11212209 0.84 ALDH1A1 (0.64) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL13221144 0.83 ALDH1A1 (0.63) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL25193023 0.82 ALDH1A1 (0.61) ALDH1A1MAPTHPGDTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP disclosed
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 (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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 ALDH1A1 192/4885MAPT 3787/4885HPGD 437/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 ALDH1A1 192/4885MAPT 3787/4885HPGD 437/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885MAPT 1417/4885HPGD 1129/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885MAPT 1417/4885HPGD 1129/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885MAPT 1417/4885HPGD 1129/4885

“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.