SCHEMBL22729488

SCHEMBL22729488

CCOC(=O)c1cnn2c(C)cn(-c3ccccc3OC)c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ F2 P00734 1/20 0.41

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
SCHEMBL22729769 0.87 MAPK14 (0.44) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL22729663 0.86 KDM4E (0.45) KDM4ELMNAMAPTNPSR1GLA
SCHEMBL22729784 0.80 MEN1 (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL22729741 0.75 KDM4E (0.48) KDM4ELMNAGLAALDH1A1HPGD
SCHEMBL29839367 0.75 SCN9A (0.43) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL22729787 0.75 SCN9A (0.43) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL6313155 0.75 ALDH1A1 (0.53) KDM4ELMNAMAPTNPSR1GLA
SCHEMBL22729782 0.74 UGCG (0.43) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL23139902 0.73 UGCG (0.42) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL22729798 0.73 KMT2A (0.53) KDM4ELMNAMAPTNPSR1ALDH1A1

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 1315/4885LMNA 695/4885MAPT 356/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KDM4E 1270/4885LMNA 680/4885MAPT 364/4885

“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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