SCHEMBL1554926

SCHEMBL1554926

COc1ccccc1Cc1nc2c(OC)ccc(C(=O)O)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
BRS3 P32247 1/20 0.45
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.43
PNP P00491 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HPGD P15428 3/20 0.40
PLA2G2A P14555 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 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
Hydrochloric Acid SCHEMBL2524469 0.99 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DBRS3
SCHEMBL1553374 0.89 PLA2G2A (0.47) PDE4APDE4BPDE4CPDE4DBRS3
SCHEMBL2524466 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DBRS3
SCHEMBL1553610 0.88 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8575070 0.87 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL2524512 0.85 HSD17B10 (0.42) PDE4APDE4BPDE4CPDE4DBRS3
SCHEMBL1552751 0.83 SMN1; SMN2 (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1554340 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DBRS3
Hydrochloric Acid SCHEMBL8568583 0.82 SMN1; SMN2 (0.49) PDE4APDE4BPDE4CPDE4DPDE10A
SCHEMBL1553391 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DBRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US claimed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP claimed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO claimed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 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-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US 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

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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR PDE4A 76/4885PDE4B 85/4885PDE4C 115/4885
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH PDE4A 2118/4885PDE4B 2609/4885PDE4C 3089/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 PDE4A 3861/4885PDE4B 3722/4885PDE4C 3165/4885

“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.