SCHEMBL2143258

SCHEMBL2143258

CCOC(=O)c1cccc(Oc2cc(-c3c(CC)cccc3CC)nc(C)c2CN2CCc3ccccc3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
TNF P01375 3/20 0.44
NOD1 Q9Y239 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NOD2 Q9HC29 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
C5AR1 P21730 1/20 0.41
LMNA P02545 2/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
PRMT5 O14744 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
SCHEMBL2138901 0.93 MEN1 (0.48) KMT2AMEN1TNFNOD1NPC1
SCHEMBL2140428 0.87 C5AR1 (0.41) KMT2AMEN1TNFNOD1NPC1
SCHEMBL2141591 0.86 L3MBTL1 (0.43) ALDH1A1KDM4EMAPTC5AR1LMNA
SCHEMBL2140546 0.85 PRMT5 (0.43) TNFNOD1NOD2KDM4EC5AR1
SCHEMBL1327975 0.85 MEN1 (0.48) KMT2AMEN1TNFNOD1NPC1
SCHEMBL1327907 0.84 C5AR1 (0.48) ALDH1A1KDM4EMAPTMAPK1HSD17B10
SCHEMBL1327445 0.84 C5AR1 (0.42) KMT2AMEN1TNFNOD1NPC1
SCHEMBL1329434 0.83 C5AR1 (0.40) ALDH1A1KDM4EMAPTC5AR1LMNA
SCHEMBL1327169 0.83 MAOB (0.42) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1329410 0.82 C5AR1 (0.54) KMT2AMEN1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 KMT2A 3960/4885MEN1 3563/4885TNF 2852/4885

“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.