SCHEMBL29839348

SCHEMBL29839348

COc1ccccc1C12CC1CN(C(=O)c1cn(C)c3c(C)cn(C)c(=O)c13)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ RIN1 Q13671 2/20 0.33
▸ TP53 P04637 2/20 0.33

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
SCHEMBL22729439 1.00 KDM4E (0.35) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL29839319 0.91 MGLL (0.41) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL22729740 0.91 MGLL (0.41) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL22729581 0.91 HCRTR1 (0.36) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL29839404 0.91 HCRTR1 (0.36) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL22729560 0.90 MGLL (0.41) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL29839301 0.90 MGLL (0.41) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL23116386 0.87 ALDH1A1 (0.34) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL23116378 0.87 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL22729600 0.86 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10HPGDMAPK1

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 1 patent. 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

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-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC KDM4E 1270/4885ALDH1A1 2660/4885HSD17B10 1691/4885

“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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