SCHEMBL1553518

SCHEMBL1553518

COC(=O)c1ccc(OC)c2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
MMP2 P08253 1/20 0.50
PLA2G2A P14555 3/20 0.44
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
NTRK1 P04629 4/20 0.41
NTRK2 Q16620 4/20 0.41
RNASEH1 O60930 2/20 0.40
BRS3 P32247 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.39

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
SCHEMBL1553391 0.91 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMMP2
SCHEMBL8569941 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMMP2
Hydrochloric Acid SCHEMBL8571356 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMMP2
SCHEMBL1553474 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DRNASEH1
SCHEMBL8571347 0.88 PDE4D (0.59) PDE4APDE4BPDE4CPDE4DMMP2
SCHEMBL1553615 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8570416 0.84 PDE4D (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL1554630 0.83 GAA (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8574236 0.82 MTNR1A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL8570317 0.82 PDE4D (0.52) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288482-A1 THERAPEUTIC AGENT (Y-39983) FOR CORNEAL ENDOTHELIAL DYSFUNCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-11-15 US disclosed
EP-1459743-B9 Agent for prophylaxis and treatment of glaucoma SENJU PHARMA CO (JP) 2012-08-01 EP disclosed
EP-1459742-B9 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2012-05-02 EP disclosed
EP-1459743-B1 Agent for prophylaxis and treatment of glaucoma SENJU PHARMA CO (JP) 2011-10-19 EP disclosed
EP-1459742-B1 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2011-10-12 EP disclosed
EP-1295607-B9 ANTITUMOR EFFECT POTENTIATORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-10-05 EP disclosed
US-7956072-B2 Agent for repairing corneal sensitivity containing amide compound SENJU PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
EP-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-1177796-B1 Medicament for prevention or therapeutic treatment of liver disease MITSUBISHI TANABE PHARMA CORP (JP) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
EP-1034793-A1 PREVENTIVES/REMEDIES FOR GLAUCOMA Senju Pharmaceutical Co., Ltd. (JP) 2000-09-13 EP disclosed
EP-0641781-B1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 2000-07-26 EP disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed
US-5478838-A Treating hypertension, angina pectoris, asthma, improving peripheral circulation YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0641781-A1 4-AMINO(ALKYL)CYCLOHEXANE-1-CARBOXAMIDE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP 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 (1 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-20120288482-A1 THERAPEUTIC AGENT (Y-39983) FOR CORNEAL ENDOTHELIAL DYSFUNCTION YES1, VCAM1, EDF1 PDE4A 1007/4885PDE4B 1733/4885PDE4C 1952/4885

“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.