SCHEMBL2138907

SCHEMBL2138907

CCc1cccc(CC)c1-c1cc(Oc2ccc3c(c2)OCO3)c(CN2CCCC(C)(C)C2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
RORC P51449 1/20 0.34
S1PR5 Q9H228 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
CHRM4 P08173 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL1330420 0.96 RECQL (0.37) KMT2AS1PR5KDM4EALDH1A1GAA
SCHEMBL1329425 0.84 KDM4E (0.36) KDM4EMAPT
SCHEMBL2143361 0.83 MAPT (0.36) KDM4EALDH1A1GAAMAPT
SCHEMBL1329394 0.83 KDM4E (0.36) KDM4EGAAMAPTPOLB
SCHEMBL1327997 0.82 KDM4E (0.35) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL1327250 0.81 C5AR1 (0.38) KMT2APKMTSHRKDM4EALDH1A1
SCHEMBL1328700 0.80 C5AR1 (0.39) KDM4EMAPK1MAPT
SCHEMBL1328621 0.79 KDM4E (0.32) KDM4EMAPT
SCHEMBL1329288 0.77 MAPT (0.42) KMT2APKMTSHRKDM4EALDH1A1
SCHEMBL2138917 0.76 ALDH1A1 (0.32) KMT2AKDM4EALDH1A1GAAMAPT

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 3960/4885FAAH 1242/4885PKM 3457/4885

“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.