SCHEMBL22729741

SCHEMBL22729741

CCOC(=O)c1cnn2c(C)cn(C)c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ HPGD P15428 6/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ PKM P14618 1/20 0.47
▸ BAZ2B Q9UIF8 1/20 0.45
▸ BAZ2A Q9UIF9 1/20 0.45
▸ ALDH1A1 P00352 10/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL22729469 0.81 KDM4E (0.46) KDM4EHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL20594512 0.78 SMN1; SMN2 (0.44) KDM4ERAB9ANPC1HPGDHSD17B10
SCHEMBL22729545 0.77 PDE4D (0.45) KDM4ERAB9ANPC1HPGDPKM
SCHEMBL20265295 0.76 RAB9A (0.49) KDM4ERAB9ANPC1HPGDHSD17B10
SCHEMBL22729488 0.75 KDM4E (0.45) KDM4ERAB9ANPC1HPGDHSD17B10
SCHEMBL12344059 0.74 BAZ2B (0.56) KDM4EHPGDHSD17B10PKMBAZ2B
SCHEMBL13850894 0.74 RAB9A (0.47) KDM4ERAB9ANPC1HPGDHSD17B10
SCHEMBL22729818 0.71 BRD4 (0.30) —
SCHEMBL391397 0.71 BAZ2B (0.60) KDM4EHPGDHSD17B10PKMBAZ2B
SCHEMBL7309504 0.70 RAB9A (0.56) KDM4ERAB9ANPC1HPGDHSD17B10

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — 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 (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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC KDM4E 1315/4885RAB9A 239/4885NPC1 52/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KDM4E 1270/4885RAB9A 239/4885NPC1 53/4885

“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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