SCHEMBL5115427

SCHEMBL5115427

O=C(O)N(C(=O)Oc1ccccc1-c1ccccc1)c1cc(Oc2ccc3c(ccn3C(=O)N3CCOCC3)c2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
DYRK3 O43781 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM4 Q14833 1/20 0.32
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 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
SCHEMBL6038471 0.90 HSD17B10 (0.40) EPHX1KDM4EHSD17B10KMT2APOLB
SCHEMBL5115425 0.87 HSD17B10 (0.41) EPHX1KDM4EHSD17B10KMT2APOLB
SCHEMBL5104361 0.81 ALDH1A1 (0.41) KDM4EHSD17B10KMT2APOLBMEN1
SCHEMBL6038580 0.80 SCN7A (0.39) POLBNPC1L3MBTL1SCN7AKCNH2
SCHEMBL5107796 0.80 SCN9A (0.38) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL5107881 0.80 KDR (0.33) KMT2AMEN1GRM4KCNH2
SCHEMBL5108444 0.79 ASAH1 (0.37)
SCHEMBL5107637 0.79 MCHR1 (0.35) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5101456 0.78 FGFR1 (0.37)
SCHEMBL5114304 0.78 FGFR1 (0.35)

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-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 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-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EPHX1 2595/4885KDM4E 2341/4885HSD17B10 211/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EPHX1 2595/4885KDM4E 2341/4885HSD17B10 211/4885

“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.