SCHEMBL2138917

SCHEMBL2138917

CCc1cccc(CC)c1-c1cc(OC2=COC(Cc3ccccc3)O2)c(CN2CCCC(C)(C)C2)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
C5AR1 P21730 5/20 0.31
CYP3A4 P08684 3/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 2/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL1327250 0.77 C5AR1 (0.38) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL2138907 0.76 KMT2A (0.34) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL1330420 0.76 RECQL (0.37) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL1328700 0.76 C5AR1 (0.39) KDM4EMAPTRAB9AC5AR1
SCHEMBL1329425 0.75 KDM4E (0.36) KDM4EMAPTRAB9ACYP3A4
SCHEMBL1330425 0.75
SCHEMBL1327997 0.73 KDM4E (0.35) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL2143361 0.73 MAPT (0.36) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL1329394 0.73 KDM4E (0.36) KDM4EMAPTRAB9AGAACYP3A4
SCHEMBL1328246 0.70 MCL1 (0.35) ALDH1A1KMT2AMEN1LMNAKDM4E

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 ALDH1A1 1966/4885KMT2A 3960/4885MEN1 3563/4885

“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.