SCHEMBL23328392

SCHEMBL23328392

O=C(NCP(=O)(O)O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MTOR P42345 3/20 0.58
NAMPT P43490 1/20 0.57
CNR1 P21554 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
MMP2 P08253 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RORC P51449 1/20 0.51
CA2 P00918 1/20 0.50
MAPT P10636 1/20 0.50
CA9 Q16790 1/20 0.50
MCHR1 Q99705 1/20 0.50

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
SCHEMBL23328666 0.85 EPHX2 (0.57) EPHX2MEN1KMT2AMTORNAMPT
SCHEMBL23328445 0.85 MEN1 (0.67) EPHX2MEN1KMT2AMTORNAMPT
SCHEMBL25841011 0.84 MEN1 (0.58) EPHX2MEN1KMT2AMTORNAMPT
SCHEMBL23328399 0.83 CDK1 (0.61) EPHX2MEN1KMT2ACA12CA1
SCHEMBL23328894 0.83 CA12 (0.50) EPHX2MEN1KMT2AMTORNAMPT
SCHEMBL23328446 0.82 MEN1 (0.63) EPHX2MEN1KMT2AMTORNAMPT
SCHEMBL11003408 0.79 EPHX2 (1.00) EPHX2MEN1KMT2AMTORNAMPT
SCHEMBL28729179 0.79 EPHX2 (1.00) EPHX2MEN1KMT2AMTORNAMPT
SCHEMBL15312260 0.79 FPR2 (0.78)
SCHEMBL20558743 0.79 FPR2 (0.78)

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-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 (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-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 EPHX2 2581/4885MEN1 1300/4885KMT2A 2533/4885

“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.