SCHEMBL3516683

SCHEMBL3516683

O=C(O)c1c(O)c(Br)cc2[nH]c(=O)c(-c3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ DHODH Q02127 7/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ RNASEH1 O60930 1/20 0.40
▸ ERCC1 P07992 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40

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
SCHEMBL3522436 0.84 EGLN3 (0.48) KDM4ERAB9ANPC1
SCHEMBL3519880 0.79 KDM4E (0.50) KDM4ERAB9ANPC1DHODHPDE10A
SCHEMBL3516621 0.79 ALDH1A1 (0.41) KDM4EDHODHCYP2C9
SCHEMBL3520027 0.77 SMN1; SMN2 (0.42) KDM4ERAB9ANPC1ERCC1FEN1
SCHEMBL8873651 0.72 NPC1 (0.45) KDM4ERAB9ANPC1GRIN2DGRIN3B
SCHEMBL8873477 0.68 KDM4E (0.53) KDM4ERAB9ANPC1GRIN2DGRIN3B
SCHEMBL8872788 0.68 KDM4E (0.53) KDM4ERAB9ANPC1DHODHGRIN2D
SCHEMBL8872656 0.68 KDM4E (0.53) KDM4ERAB9ANPC1DHODHGRIN2D
SCHEMBL8874107 0.68 RAB9A (0.53) KDM4ERAB9ANPC1DHODHGRIN2D
SCHEMBL2630604 0.67 RAB9A (0.74) KDM4ERAB9ANPC1GRIN2DGRIN3B

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-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 — — US disclosed
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 — — EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 — — WO 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-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 KDM4E 176/4885RAB9A 3111/4885NPC1 2674/4885

“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.

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