SCHEMBL5115425

SCHEMBL5115425

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 7/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
HPGD P15428 1/20 0.35
AKR1C3 P42330 2/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
DYRK3 O43781 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
MAPT P10636 1/20 0.34

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 0.97 HSD17B10 (0.40) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL5107763 0.90 POLB (0.39) NPC1POLBMAPT
SCHEMBL5115427 0.87 EPHX1 (0.35) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL6038580 0.86 SCN7A (0.39) NPC1POLBMAPT
SCHEMBL5104361 0.85 ALDH1A1 (0.41) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL6513255 0.83 FGFR1 (0.42) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL6038474 0.82 HSD17B10 (0.40) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL6041223 0.82 GALR3 (0.36)
SCHEMBL5113619 0.81 GCK (0.40)
SCHEMBL5102304 0.80 RIPK1 (0.38) NPC1RAB9AHTTHPGD

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 HSD17B10 211/4885KMT2A 986/4885MEN1 3535/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 HSD17B10 211/4885KMT2A 986/4885MEN1 3535/4885

“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.