SCHEMBL23723344

SCHEMBL23723344

[N-]=[N+]=NCc1cccc(SCC(F)=CCNC(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 2/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
PPARG P37231 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
SCHEMBL23723341 1.00 ALDH1A1 (0.36) ALDH1A1HDAC1HDAC2APEX1SMN1; SMN2
SCHEMBL26758596 0.85 KDM4E (0.34) ALDH1A1SMN1; SMN2HDAC8POLBPPARG
SCHEMBL30633628 0.85 KDM4E (0.34) ALDH1A1SMN1; SMN2HDAC8POLBPPARG
SCHEMBL23723347 0.83 ALDH1A1 (0.41) ALDH1A1APEX1SMN1; SMN2PKMKMT2A
SCHEMBL23723345 0.83 ALDH1A1 (0.41) ALDH1A1APEX1SMN1; SMN2PKMKMT2A
SCHEMBL23723267 0.78 KMT2A (0.41) ALDH1A1APEX1SMN1; SMN2KMT2APOLB
SCHEMBL23723269 0.78 KMT2A (0.41) ALDH1A1APEX1SMN1; SMN2KMT2APOLB
SCHEMBL23723321 0.77 APEX1 (0.38) ALDH1A1HDAC1HDAC2APEX1SMN1; SMN2
SCHEMBL23723322 0.77 APEX1 (0.38) ALDH1A1HDAC1HDAC2APEX1SMN1; SMN2
SCHEMBL21646305 0.69 GAA (0.40) ALDH1A1SMN1; SMN2PKMKMT2APOLB

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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2023-11-02 US disclosed
WO-2021155439-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2021-08-12 WO 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 ALDH1A1 367/4885HDAC1 2419/4885HDAC2 2110/4885

“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.