SCHEMBL1328510

SCHEMBL1328510

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(F)cc2F)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
C5AR1 P21730 11/20 0.44
DHFR P00374 1/20 0.42
DCPS Q96C86 1/20 0.42
FFAR1 O14842 1/20 0.41
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK1G2 P78368 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
SCHEMBL1329229 0.92 C5AR1 (0.44) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL2140390 0.90 C5AR1 (0.43) C5AR1
SCHEMBL1329680 0.89 DHFR (0.40) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL1328055 0.88 FFAR1 (0.41) ALDH1A1KMT2AC5AR1FFAR1
SCHEMBL1329778 0.86 C5AR1 (0.40) C5AR1
SCHEMBL1329254 0.86 C5AR1 (0.42) C5AR1
SCHEMBL1329248 0.85 C5AR1 (0.42) C5AR1L3MBTL1
SCHEMBL1330568 0.85 C5AR1 (0.42) ALDH1A1MEN1KMT2AC5AR1PKM
SCHEMBL2141899 0.84 C5AR1 (0.40) C5AR1
SCHEMBL1327460 0.84 C5AR1 (0.43) C5AR1FFAR1

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 ALDH1A1 1966/4885MEN1 3563/4885POLB 4733/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ALDH1A1 1966/4885MEN1 3563/4885POLB 4733/4885

“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.