SCHEMBL23328446

SCHEMBL23328446

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
EPHX2 P34913 4/20 0.57
CNR1 P21554 1/20 0.55
MTOR P42345 3/20 0.53
NAMPT P43490 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MCHR1 Q99705 1/20 0.49
CCR3 P51677 2/20 0.48
GOT1 P17174 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL23328445 0.92 MEN1 (0.67) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL23328722 0.87 MEN1 (0.61) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL28728293 0.87 MEN1 (0.77) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL23328449 0.85 MEN1 (0.67) MEN1KMT2AEPHX2CA12CA1
SCHEMBL23328392 0.82 EPHX2 (0.64) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL25840803 0.81 ALDH1A1 (0.59) MEN1KMT2ACNR1NAMPTCA12
SCHEMBL20681685 0.81 MEN1 (0.68) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL23328673 0.80 MEN1 (0.63) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL25841056 0.80 MEN1 (0.67) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL136432 0.78 MEN1 (0.72) MEN1KMT2AEPHX2CNR1MTOR

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

“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.