SCHEMBL1328003

SCHEMBL1328003

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(Cl)c(F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.43
PARP14 Q460N5 1/20 0.43
C5AR1 P21730 3/20 0.41
PARP15 Q460N3 2/20 0.40
HDAC8 Q9BY41 1/20 0.38
PPARG P37231 2/20 0.38
TGFBR1 P36897 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPBWR1 P48145 2/20 0.37
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL1328882 0.90 C5AR1 (0.42) PARP10C5AR1PARP15HDAC8MAPT
SCHEMBL1328889 0.88 MAPT (0.50) C5AR1HDAC8MAPTALDH1A1GAA
SCHEMBL1328412 0.84 MAPT (0.39) C5AR1TGFBR1MAPTALDH1A1GAA
SCHEMBL1327590 0.83 PARP10 (0.41) PARP10PARP14C5AR1PARP15PPARG
SCHEMBL1327712 0.83 C5AR1 (0.43) PARP10PARP14C5AR1PARP15PPARG
SCHEMBL1329108 0.83 MRGPRX4 (0.47) C5AR1SLC6A4PIK3CD
SCHEMBL1327858 0.83 MRGPRX4 (0.41) C5AR1HDAC8TGFBR1
SCHEMBL1329117 0.82 C5AR1 (0.43) C5AR1HDAC8MAPTALDH1A1GAA
SCHEMBL1329711 0.82 PARP15 (0.44) PARP10C5AR1PARP15PPARGMAPT
SCHEMBL1329562 0.82 MEN1 (0.40) PARP10C5AR1PARP15MAPTALDH1A1

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 PARP10 644/4885PARP14 694/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PARP10 644/4885PARP14 694/4885C5AR1 2/4885

“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.