SCHEMBL23116383

SCHEMBL23116383

Cc1cn(C)c(=O)c2c(C(=O)N3CCC(Oc4nccs4)CC3)cn(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 3/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RBP4 P02753 1/20 0.33
SPR P35270 4/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPBWR1 P48145 1/20 0.31

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
SCHEMBL22729583 0.84 RBP4 (0.41) GAAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22729640 0.82 CYP46A1 (0.41) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL22729426 0.81 RIPK1 (0.47) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL22729699 0.81 NAAA (0.43) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL29839302 0.81 RIPK1 (0.47) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL22729839 0.81 ALDH1A1 (0.43) GAAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22729528 0.80 EPHX2 (0.42) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL22729684 0.79 SPR (0.44) GAAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22729412 0.79 SCD (0.50) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL23116376 0.79 KDM4E (0.46) GAAALDH1A1HSD17B10KDM4EHPGD

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 3 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

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 GAA 4/4885ALDH1A1 2626/4885HSD17B10 1790/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC GAA 4/4885ALDH1A1 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.