SCHEMBL1554400

SCHEMBL1554400

CCC(c1nc2c(OC)ccc(C(=O)O)c2[nH]1)c1cccc2[nH]nnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.37
PDE10A Q9Y233 1/20 0.34
MAOB P27338 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PARP1 P09874 6/20 0.32
BCHE P06276 1/20 0.32
TYR P14679 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CNR2 P34972 1/20 0.32
HPSE Q9Y251 1/20 0.31
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1554155 0.84 PARP1 (0.35) DHODHPDE10AMAOBADORA2APDE4A
SCHEMBL1552762 0.84 DHODH (0.37) DHODHPDE10AMAOBADORA2APDE4A
SCHEMBL1553954 0.81 PDE10A (0.41) DHODHPDE10AMAOBADORA2APDE4A
SCHEMBL1554340 0.78 PDE4A (0.39) DHODHPDE10AMAOBADORA2APDE4A
SCHEMBL1553808 0.76 PDE4A (0.35) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL1553766 0.76 DHODH (0.37) DHODHPDE10AMAOBADORA2APDE4A
SCHEMBL1553662 0.74 KDM4C (0.38) DHODHPDE10APDE4APDE4BPDE4C
SCHEMBL1554484 0.73 PDE4A (0.53) DHODHPDE10APDE4APDE4BPDE4C
SCHEMBL1553379 0.73 DHODH (0.39) DHODHPDE10AMAOBADORA2APDE4A
SCHEMBL1553569 0.73 DHODH (0.35) DHODHPDE10AMAOBADORA2AKDM4E

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 7 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

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 DHODH 609/4885PDE10A 159/4885MAOB 222/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 DHODH 3446/4885PDE10A 2527/4885MAOB 2126/4885

“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.