SCHEMBL26758596

SCHEMBL26758596

CC(C)(C)OC(=O)NC/C=C(\F)CSc1cccc(CN=[N+]=[N-])c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
AKT1 P31749 2/20 0.32
GLS O94925 1/20 0.32
ATM Q13315 2/20 0.31
MAPT P10636 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSL P07711 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
MAPK1 P28482 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30633628 1.00 KDM4E (0.34) KDM4EHDAC8POLBALDH1A1IDO1
SCHEMBL23745972 0.85 ALDH1A1 (0.36) KDM4EPOLBALDH1A1IDO1AKT1
SCHEMBL23723344 0.85 ALDH1A1 (0.36) HDAC8POLBALDH1A1PPARGSMN1; SMN2
SCHEMBL23723341 0.85 ALDH1A1 (0.36) HDAC8POLBALDH1A1PPARGSMN1; SMN2
SCHEMBL23745932 0.81 NQO2 (0.41) KDM4EPOLBALDH1A1IDO1ATM
SCHEMBL30633625 0.80 CTSK (0.35) KDM4EPOLBALDH1A1IDO1ATM
SCHEMBL23746020 0.80 CTSK (0.35) KDM4EPOLBALDH1A1IDO1ATM
SCHEMBL26758437 0.80 IDO1 (0.41) ALDH1A1IDO1AKT1MAPTCTSS
SCHEMBL23723265 0.79 APEX1 (0.48) POLBALDH1A1IDO1ATMMAPT
SCHEMBL23723262 0.79 APEX1 (0.48) POLBALDH1A1IDO1ATMMAPT

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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2023-11-02 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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF MAOB, LOX, LPO KDM4E 807/4885HDAC8 3015/4885POLB 1226/4885

“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.