SCHEMBL23328671

SCHEMBL23328671

N=C(NCC(=O)O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MTOR P42345 2/20 0.48
KIF11 P52732 1/20 0.47
TGM2 P21980 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
BAZ1A Q9NRL2 1/20 0.46

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
SCHEMBL23328672 0.85 EPHX2 (0.51) EPHX2L3MBTL1NPC1RAB9AMEN1
SCHEMBL23328422 0.84 EPHX2 (0.68) EPHX2L3MBTL1NPC1RAB9AMEN1
SCHEMBL23328373 0.81 ABAT (0.66) EPHX2L3MBTL1NPC1RAB9AMEN1
SCHEMBL11787774 0.80 ABAT (0.62) EPHX2L3MBTL1KMT2APOLB
SCHEMBL25841134 0.79 EPHX2 (0.51) EPHX2L3MBTL1NPC1RAB9AMEN1
SCHEMBL25840795 0.79 ALDH1A1 (0.62) NPC1RAB9AMEN1KMT2AKIF11
SCHEMBL25841306 0.78 EPHX2 (0.49) EPHX2L3MBTL1NPC1RAB9AMEN1
SCHEMBL23328394 0.77 FPR2 (0.56) EPHX2L3MBTL1NPC1RAB9AMEN1
SCHEMBL23328894 0.77 CA12 (0.50) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL951015 0.76 FFAR1 (0.58) EPHX2L3MBTL1NPC1RAB9AMEN1

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-11701333-B2 Antibacterial compounds Kent Innovation & Enterprise (GB) 2023-07-18 US disclosed
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS KENT INNOVATION & ENTERPRISE, UNIVERSITY OF KENT (GB) 2021-05-06 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-11701333-B2 Antibacterial compounds ARF1, ARL1, TLR1 EPHX2 2581/4885L3MBTL1 4313/4885NPC1 407/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 EPHX2 2581/4885L3MBTL1 4313/4885NPC1 407/4885

“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.