SCHEMBL1908698

SCHEMBL1908698

CCNC(=O)NCCCNC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.58
HIF1A Q16665 1/20 0.58
EPHX1 P07099 6/20 0.52
PAOX Q6QHF9 3/20 0.52
EPHX2 P34913 1/20 0.47
ADRA1A P35348 1/20 0.47
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
FOLH1 Q04609 1/20 0.41
PRMT1 Q99873 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL1908656 0.91 KDM4E (0.50) KDM4EMAPK1HIF1AEPHX1PAOX
SCHEMBL13135023 0.91 EPHX1 (0.61) KDM4EMAPK1HIF1AEPHX1EPHX2
SCHEMBL26570844 0.86 EPHX1 (0.68) KDM4EMAPK1HIF1AEPHX1PAOX
SCHEMBL14198101 0.85 EPHX1 (0.68) KDM4EMAPK1HIF1AEPHX1EPHX2
SCHEMBL22260405 0.85 KDM4E (0.47) KDM4EMAPK1HIF1AEPHX1PAOX
SCHEMBL12913672 0.84 EPHX1 (0.54) EPHX1PAOXEPHX2PRMT1MEN1
SCHEMBL10399741 0.83 EPHX1 (0.73) KDM4EMAPK1HIF1AEPHX1EPHX2
SCHEMBL1900471 0.83 KDM4E (0.82) KDM4EMAPK1HIF1AEPHX1PAOX
SCHEMBL12914936 0.82 EPHX1 (0.58) KDM4EMAPK1HIF1AEPHX1PAOX
SCHEMBL6283812 0.82 CYP2C19 (0.52) EPHX1PAOXEPHX2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 KDM4E 4772/4885MAPK1 3463/4885HIF1A 2224/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 KDM4E 4184/4885MAPK1 1534/4885HIF1A 773/4885

“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.