SCHEMBL1328404

SCHEMBL1328404

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccc(F)cc2F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
DHFR P00374 1/20 0.44
DCPS Q96C86 1/20 0.44
C5AR1 P21730 3/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK1G2 P78368 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TRPA1 O75762 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL1328523 0.91 C5AR1 (0.40) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL1327417 0.90 ATP4A (0.45) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL1328668 0.89 TGFBR1 (0.46) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL1328913 0.87 ALDH1A1 (0.40) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL1327858 0.83 MRGPRX4 (0.41) HPGDC5AR1TGFBR1
SCHEMBL1328504 0.83 KDM4E (0.42) ALDH1A1MEN1KMT2AHPGDC5AR1
SCHEMBL1329473 0.82 RECQL (0.43) C5AR1L3MBTL1KDM4EMAPK1
SCHEMBL1327973 0.81 KDM4E (0.47) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL1328930 0.81 L3MBTL1 (0.53) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL1330224 0.81 ABCB1 (0.44) C5AR1

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 3563/4885KMT2A 3960/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ALDH1A1 1966/4885MEN1 3563/4885KMT2A 3960/4885

“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.