SCHEMBL5883355

SCHEMBL5883355

CCSc1cccc(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
PTGS2 P35354 1/20 0.41
UNG P13051 1/20 0.40
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 4/20 0.38
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CYP2A6 P11509 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
FDPS P14324 1/20 0.36
SRC P12931 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL3238253 0.85 ALDH1A1 (0.43) ALDH1A1UNGTDP1HPGDL3MBTL1
SCHEMBL11044905 0.82 PTGS2 (0.39) ALDH1A1PTGS2EPHX2TDP1MAOA
SCHEMBL1710647 0.82 ALDH1A1 (0.41) ALDH1A1PTGS2UNGTDP1HPGD
SCHEMBL1710834 0.81 ALDH1A1 (0.38) ALDH1A1UNGTDP1HPGDL3MBTL1
SCHEMBL7550633 0.81 TDP1 (0.48) ALDH1A1PTGS2EPHX2TDP1MAOA
SCHEMBL16957731 0.81 PTGS2 (0.41) ALDH1A1PTGS2EPHX2TDP1MAOA
SCHEMBL28408684 0.81 EPHX2 (0.43) ALDH1A1PTGS2EPHX2TDP1MAOA
SCHEMBL3232468 0.80 MAOA (0.42) ALDH1A1UNGTDP1HPGDL3MBTL1
SCHEMBL11429530 0.80 THRB (0.40) ALDH1A1PTGS2TDP1HPGDL3MBTL1
SCHEMBL10497865 0.80 THRB (0.40) ALDH1A1PTGS2TDP1HPGDL3MBTL1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS MERCK PATENT GMBH (DE) 2018-09-27 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
CN-103781763-B Amine derivatives as potassium channel blockers 生态学有限公司 2017-03-22 CN 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885PTGS2 2560/4885UNG 4526/4885
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885PTGS2 2560/4885UNG 4526/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885PTGS2 1837/4885UNG 2520/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885PTGS2 1837/4885UNG 2520/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885PTGS2 1837/4885UNG 2520/4885

“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.