SCHEMBL1553076

SCHEMBL1553076

COc1ccc(C(=O)O)c2[nH]c(COc3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 3/20 0.45
PABPC1 P11940 1/20 0.45
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
RAB9A P51151 3/20 0.42
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40

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 SCHEMBL8570996 0.99 KDM4A (0.45) KDM4ASMN1; SMN2GAAPABPC1KDM5A
SCHEMBL1552948 0.93 KDM5A (0.51) SMN1; SMN2GAAKDM5AKDM4CRAB9A
Hydrochloric Acid SCHEMBL8572692 0.92 KDM5A (0.50) SMN1; SMN2GAAKDM5AKDM4CRAB9A
SCHEMBL8570990 0.91 SMN1; SMN2 (0.43) SMN1; SMN2GAAPABPC1RAB9APDE4A
SCHEMBL1554630 0.91 GAA (0.46) SMN1; SMN2GAAPABPC1RAB9APDE4A
SCHEMBL1552751 0.91 SMN1; SMN2 (0.50) SMN1; SMN2GAAKDM4CRAB9APDE4A
Hydrochloric Acid SCHEMBL8568583 0.89 SMN1; SMN2 (0.49) SMN1; SMN2GAAKDM4CRAB9APDE4A
SCHEMBL1553405 0.86 PDE4A (0.54) KDM4AKDM5AKDM4CPDE4APDE4B
Hydrochloric Acid SCHEMBL8571865 0.85 PDE4A (0.53) KDM4AKDM5AKDM4CPDE4APDE4B
SCHEMBL8571583 0.84 SMN1; SMN2 (0.43) SMN1; SMN2GAAPABPC1RAB9ANPC1

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 KDM4A 2764/4885SMN1; SMN2 3569/4885GAA 2226/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 KDM4A 2185/4885SMN1; SMN2 3886/4885GAA 4864/4885

“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.