SCHEMBL29839352

SCHEMBL29839352

COc1ccccc1C12CN(C(=O)c3cn(C)c4c(C)cn(C)c(=O)c34)CC1C2(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KMT2A Q03164 3/20 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
SCHEMBL22729651 1.00 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729725 0.92 APP (0.37) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729837 0.86 MGLL (0.38) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729851 0.84 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL22729413 0.83 GRIN2B (0.35) KDM4EALDH1A1MAPK1ALOX15TP53
SCHEMBL29839289 0.83 GRIN2B (0.35) KDM4EALDH1A1MAPK1ALOX15TP53
SCHEMBL22729672 0.83 MGLL (0.32) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729439 0.82 KDM4E (0.35) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL29839348 0.82 KDM4E (0.35) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL22729718 0.82 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD

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 SMN1; SMN2 155/4885KDM4E 1270/4885ALDH1A1 2660/4885

“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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