SCHEMBL1328882

SCHEMBL1328882

CCc1cc(OCc2cnc(-c3c(CC)cccc3CC)cc2OC)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
FGFR4 P22455 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
NPC1 O15118 1/20 0.37
NR4A2 P43354 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CD O00329 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SCN9A Q15858 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL1328889 0.91 MAPT (0.50) C5AR1L3MBTL1HDAC8ALDH1A1GAA
SCHEMBL1328003 0.90 PARP10 (0.43) C5AR1L3MBTL1HDAC8ALDH1A1GAA
SCHEMBL1329108 0.85 MRGPRX4 (0.47) C5AR1NPC1RAB9APIK3CDSLC6A4
SCHEMBL1329117 0.85 C5AR1 (0.43) C5AR1L3MBTL1HDAC8ALDH1A1GAA
SCHEMBL1329711 0.85 PARP15 (0.44) C5AR1ALDH1A1GAAMAPTKDM4E
SCHEMBL1329001 0.85 CYP1A2 (0.42) C5AR1L3MBTL1HDAC8ALDH1A1MAPT
SCHEMBL1329562 0.85 MEN1 (0.40) C5AR1ALDH1A1MAPTPARP15PARP10
SCHEMBL1329080 0.84 C5AR1 (0.41) C5AR1L3MBTL1MAPTPARP15PARP10
SCHEMBL1329951 0.84 MRGPRX4 (0.42) C5AR1HDAC8ALDH1A1GAANPC1
SCHEMBL1327778 0.84 POLB (0.48) C5AR1L3MBTL1HDAC8ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 C5AR1 2/4885L3MBTL1 3202/4885HDAC8 3760/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885L3MBTL1 3202/4885HDAC8 3760/4885

“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.