SCHEMBL6038474

SCHEMBL6038474

O=C(NC(=O)Oc1cc(Oc2ccc3c(ccn3C(=O)N3CCOCC3)c2)ccn1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
HPGD P15428 1/20 0.35
AKR1C3 P42330 2/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
DYRK3 O43781 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
SCHEMBL6513255 0.87 FGFR1 (0.42) HSD17B10KMT2ANPC1RAB9APOLB
SCHEMBL5115425 0.82 HSD17B10 (0.41) HSD17B10KMT2ANPC1RAB9APOLB
SCHEMBL6038471 0.81 HSD17B10 (0.40) HSD17B10KMT2ANPC1RAB9APOLB
SCHEMBL6038382 0.79 FGFR1 (0.44) HTTDYRK3DYRK1ADYRK2
SCHEMBL5104756 0.79 DYRK3 (0.43) HSD17B10KMT2ANPC1RAB9APOLB
SCHEMBL5104361 0.78 ALDH1A1 (0.41) HSD17B10KMT2ANPC1RAB9APOLB
SCHEMBL6038529 0.77 RAB9A (0.39) HSD17B10KMT2ANPC1RAB9AMEN1
SCHEMBL6038635 0.77 KDR (0.36)
SCHEMBL6038815 0.76 ASAH1 (0.37)
SCHEMBL6038451 0.76 MCHR1 (0.38) KMT2AMEN1HTTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 HSD17B10 211/4885KMT2A 986/4885NPC1 769/4885

“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.