SCHEMBL22729798

SCHEMBL22729798

COc1ccccc1-n1cc(C)n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ HCRTR1 O43613 1/20 0.53
▸ MAPT P10636 13/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ LMNA P02545 2/20 0.50
▸ PDE10A Q9Y233 1/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ AHR P35869 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ALOX12 P18054 1/20 0.46

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
SCHEMBL29839342 1.00 KMT2A (0.53) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL29839336 0.90 PDE10A (0.49) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL22729625 0.90 PDE10A (0.49) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL22755057 0.89 MAPT (0.53) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL22729611 0.88 UGCG (0.49) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL29839394 0.88 UGCG (0.49) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL29839311 0.82 UGCG (0.51) MAPTALDH1A1LMNAPDE10ARAB9A
SCHEMBL22729573 0.82 UGCG (0.51) MAPTALDH1A1LMNAPDE10ARAB9A
SCHEMBL22729636 0.81 MAPT (0.55) MAPTALDH1A1LMNAPDE10ARAB9A
SCHEMBL22729465 0.78 MAPT (0.51) KMT2AMEN1HCRTR1MAPTALDH1A1

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 4 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
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 KMT2A 405/4885MEN1 1745/4885HCRTR1 1114/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KMT2A 410/4885MEN1 1710/4885HCRTR1 1069/4885

“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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