SCHEMBL1553582

SCHEMBL1553582

COc1nc2c(OC)ccc(C(=O)O)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE10A Q9Y233 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CDC25B P30305 1/20 0.39
LMNA P02545 1/20 0.39
NEK2 P51955 1/20 0.38
CNR2 P34972 1/20 0.38
PIM1 P11309 2/20 0.38
CLK1 P49759 1/20 0.38
DYRK2 Q92630 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
SCHEMBL1554310 0.88 PDE4A (0.50) KDM4EHPGDTDP1MAPTDHODH
SCHEMBL8574632 0.87 PDE4A (0.41) KDM4EHPGDMAPTALDH1A1L3MBTL1
SCHEMBL1553246 0.87 KDM4E (0.42) KDM4EHPGDTDP1MAPTDHODH
Hydrochloric Acid SCHEMBL8573507 0.87 PDE4A (0.49) KDM4EHPGDTDP1MAPTDHODH
SCHEMBL1554484 0.81 PDE4A (0.53) KDM4EHPGDTDP1MAPTDHODH
SCHEMBL1553405 0.80 PDE4A (0.54) KDM4EHPGDTDP1MAPTDHODH
SCHEMBL1553486 0.80 DHODH (0.57) KDM4EHPGDDHODHALDH1A1PDE10A
Hydrochloric Acid SCHEMBL8574445 0.80 PDE4A (0.52) KDM4EHPGDTDP1MAPTDHODH
SCHEMBL1552957 0.79 PDE4D (0.54) KDM4EHPGDTDP1MAPTDHODH
SCHEMBL1554148 0.79 PDE4A (0.44) KDM4EHPGDTDP1MAPTDHODH

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
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-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 (2 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 KDM4E 3056/4885HPGD 552/4885TDP1 1839/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 KDM4E 2408/4885HPGD 3940/4885TDP1 4815/4885

“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.