SCHEMBL1329559

SCHEMBL1329559

CCc1cccc(CC)c1-c1ncc(CN(Cc2ccccc2)C2CC2)c(OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 3/20 0.36
YTHDC1 Q96MU7 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 2/20 0.33
CCR5 P51681 1/20 0.33
GRIN2B Q13224 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
DRD3 P35462 1/20 0.32
C5AR1 P21730 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL2139783 0.96 BCHE (0.41) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2138773 0.95 BCHE (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL1328086 0.85 PDE4A (0.37) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2138940 0.85 BCHE (0.38) MAPK1BCHE
SCHEMBL1329151 0.84 POLB (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1328763 0.82 RORC (0.35) MEN1KMT2ABCHEACHE
SCHEMBL1327638 0.82 BCHE (0.33) MEN1KMT2AALDH1A1BCHESLC6A2
SCHEMBL1327963 0.82 CCR4 (0.36) ACHE
SCHEMBL1329724 0.81 SMN1; SMN2 (0.32) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL1328661 0.81 BCHE (0.43) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3960/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MEN1 3563/4885KMT2A 3960/4885KDM4E 2088/4885

“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.