SCHEMBL22729463

SCHEMBL22729463

Cc1cn(C)c(=O)c2c(C(=O)N3CC(Oc4ccccc4)C3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
PKLR P30613 1/20 0.40
SCD5 Q86SK9 1/20 0.39
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BTK Q06187 5/20 0.37
USP30 Q70CQ3 2/20 0.37
SPR P35270 2/20 0.37
RIPK1 Q13546 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL22729684 0.89 SPR (0.44) ALDH1A1KDM4EHSD17B10HPGDSCD5
SCHEMBL22729710 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDPKLR
SCHEMBL22729481 0.84 KDM4E (0.38) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL22729580 0.83 SPR (0.41) SCDALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22729679 0.83 CYP2C9 (0.46) SCDALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22729528 0.82 EPHX2 (0.42) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL23116376 0.80 KDM4E (0.46) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL22729730 0.80 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL23116397 0.79 HRH1 (0.42) ALDH1A1HPGDMAPTNPSR1TSHR
SCHEMBL22729640 0.79 CYP46A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDALOX15

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 SCD 832/4885ALDH1A1 2626/4885KDM4E 1315/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC SCD 790/4885ALDH1A1 2660/4885KDM4E 1270/4885

“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.