SCHEMBL1327657

SCHEMBL1327657

CCOc1cccc(OCc2c(C)nc(-c3c(CC)cccc3CC)c(C)c2OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 4/20 0.36
ALOX12 P18054 3/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
CREBBP Q92793 1/20 0.36
CD274 Q9NZQ7 2/20 0.36
NPBWR1 P48145 1/20 0.36
PDCD1 Q15116 1/20 0.35
MAOB P27338 3/20 0.35
TSHR P16473 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
SCHEMBL1328554 0.90 MAOB (0.37) MEN1KMT2AMAPTTP53LMNA
SCHEMBL1329444 0.90 KCNH2 (0.36) MAPTLMNAALDH1A1HPGDCD274
SCHEMBL1329334 0.88 PTGER4 (0.40) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1328302 0.88 MAPT (0.38) MAPTTP53MAPK1ALDH1A1TSHR
SCHEMBL1328502 0.88 KDM4E (0.39) MEN1KMT2AMAPTTP53LMNA
SCHEMBL1329216 0.88 CD274 (0.33) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1327226 0.88 CD274 (0.33) MAPTALDH1A1HTTCD274MAOB
SCHEMBL1329422 0.87 SLC22A12 (0.39) MAOBCYSLTR2CYSLTR1
SCHEMBL1329202 0.87 RAB9A (0.37) MEN1KMT2AMAPTTP53ALOX12
SCHEMBL1329949 0.86 L3MBTL1 (0.37) MAPTLMNAMAPK1ALDH1A1HPGD

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 MEN1 3563/4885KMT2A 3960/4885MAPT 4726/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MEN1 3563/4885KMT2A 3960/4885MAPT 4726/4885

“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.