SCHEMBL1553897

SCHEMBL1553897

O=C(O)c1cccc2nc(Cc3ccccc3)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
KMT2A Q03164 1/20 0.54
KDM5B Q9UGL1 3/20 0.52
KDM5A P29375 2/20 0.52
KDM4A O75164 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
RNASEH1 O60930 1/20 0.49
PKM P14618 3/20 0.47
TSHR P16473 1/20 0.47
EGFR P00533 1/20 0.45
PNP P00491 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE5A O76074 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL8569715 0.99 GAA (0.53) GAAKMT2AKDM5BKDM5AKDM4A
SCHEMBL6840255 0.90 KDM5B (0.46) GAAKMT2AKDM5BKDM5AKDM4A
SCHEMBL6951808 0.90 GAA (0.53) GAAKMT2AKDM5BKDM5AKDM4A
SCHEMBL6840239 0.89 KDM4C (0.54) GAAKMT2AKDM5BKDM5AKDM4A
SCHEMBL8569705 0.89 GAA (0.51) GAAKMT2AKDM5BKDM5AKDM4A
SCHEMBL6948961 0.87 RAB9A (0.55) GAAKDM5BKDM5AKDM4AKDM4C
SCHEMBL6840258 0.87 BRS3 (0.47) GAAKMT2AKDM5BKDM5AKDM4A
SCHEMBL6950138 0.86 KMT2A (0.49) GAAKMT2AKDM5BKDM5AKDM4A
SCHEMBL1552358 0.85 RNASEH1 (0.54) GAAKMT2ARNASEH1PKMTSHR
SCHEMBL9589018 0.83 KDM5B (0.47) KDM5BKDM5AKDM4AKDM4CEGFR

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 GAA 2226/4885KMT2A 4767/4885KDM5B 2086/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 GAA 4864/4885KMT2A 2258/4885KDM5B 2119/4885

“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.