SCHEMBL3576722

SCHEMBL3576722

O=C(O)c1c(O)ccc2nc(N3CCCCC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 2/20 0.40
ALOX12 P18054 1/20 0.40
HCAR2 Q8TDS4 7/20 0.39
KDM4E B2RXH2 5/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
MAP4K4 O95819 1/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL3516407 0.84 EGLN3 (0.50) ALDH1A1HPGDPOLBALOX12KDM4E
SCHEMBL3520596 0.76 PKMYT1 (0.39) ALDH1A1HPGDPOLBKDM4EHTT
SCHEMBL3518398 0.74 HCAR2 (0.45) ALDH1A1HPGDPOLBHCAR2KDM4E
SCHEMBL3517219 0.73 CA12 (0.37) ALDH1A1HPGDKDM4EHTTMAPK1
SCHEMBL3521287 0.70 ABL1 (0.45) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3753207 0.67 PKMYT1 (0.40) ALDH1A1HPGDPOLBHTTSMN1; SMN2
SCHEMBL14829631 0.67 HSD17B14 (0.47) HPGDHCAR2MAPTNFKB1NFKB2
SCHEMBL3766998 0.67 CA12 (0.43) ALDH1A1POLBALOX12KDM4EGAA
SCHEMBL1442293 0.67 EGLN1 (0.47) ALDH1A1HPGDHCAR2KDM4EGAA
SCHEMBL1442186 0.67 PIK3CA (0.50) HPGDKDM4ENPC1MAPTNFKB1

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 ALDH1A1 191/4885HPGD 51/4885POLB 1207/4885

“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.