SCHEMBL4358945

SCHEMBL4358945

O=C(O)CC1CN(c2nccs2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
SLC6A7 Q99884 1/20 0.42
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SCD O00767 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1025896 0.88 HSD17B10 (0.50) KDM4CHSD17B10ALDH1A1HPGDGRM5
SCHEMBL26123760 0.85 HSD17B10 (0.55) KDM4CHSD17B10ALDH1A1HPGDGRM5
SCHEMBL28378104 0.75 GLS (0.40) HSD17B10ALDH1A1HPGDHRH3KDM4E
SCHEMBL2640732 0.74 KDM4C (0.44) KDM4CHSD17B10ALDH1A1HPGDGRM5
SCHEMBL30461783 0.74 DPP4 (0.43) KDM4CHSD17B10ALDH1A1HPGDGRM5
SCHEMBL23064067 0.74 HSD17B10 (0.50) KDM4CHSD17B10ALDH1A1HPGDGRM5
SCHEMBL21192397 0.73 FFAR4 (0.36) HPGDMEN1
SCHEMBL28982953 0.72 HPGD (0.52) HSD17B10ALDH1A1HPGDGRM5GRM1
SCHEMBL16695496 0.71 HSD17B10 (0.60) KDM4CHSD17B10ALDH1A1HPGDGRM5
SCHEMBL28347761 0.71 HPGD (0.45) KDM4CHSD17B10ALDH1A1HPGDGRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KDM4C 398/4885HSD17B10 3774/4885ALDH1A1 2511/4885

“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.