SCHEMBL22729675

SCHEMBL22729675

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(OC(F)F)CC3)cn(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 9/20 0.38
HSD17B10 Q99714 7/20 0.38
HPGD P15428 6/20 0.38
MAPK1 P28482 4/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 5/20 0.34
MEN1 O00255 2/20 0.34
GLA P06280 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 1/20 0.32

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
SCHEMBL22729730 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL22729589 0.88 KDM4E (0.40) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL22729839 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL22729419 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL22729813 0.82 SPR (0.41) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL22729412 0.82 SCD (0.50) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL22755283 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL23116393 0.82 KDM4E (0.36) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL23116415 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDMAPK1
SCHEMBL22729528 0.82 EPHX2 (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPK1

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 ALDH1A1 2626/4885KDM4E 1315/4885HSD17B10 1790/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885KDM4E 1270/4885HSD17B10 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.