SCHEMBL23328449

SCHEMBL23328449

O=P(O)(O)CCCNC(=S)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
LMNA P02545 5/20 0.67
HTT P42858 3/20 0.67
CDK1 P06493 1/20 0.63
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.52
EPHX2 P34913 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
MMP2 P08253 1/20 0.46
ALOX12 P18054 1/20 0.43
CXCR4 P61073 1/20 0.43

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
SCHEMBL23328372 0.92 CDK1 (0.67) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL23328875 0.86 KMT2A (0.63) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL23328446 0.85 MEN1 (0.63) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL23328399 0.83 CDK1 (0.61) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL25840806 0.82 RECQL (0.52) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL31276967 0.81 CDK1 (0.82) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL23328371 0.81 CDK1 (0.59) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL23328393 0.80 SMN1; SMN2 (0.68) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL27922870 0.80 MEN1 (0.68) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL25841058 0.79 LMNA (0.72) MEN1KMT2ASMN1; SMN2LMNAHTT

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 2533/4885SMN1; SMN2 3087/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 MEN1 1300/4885KMT2A 2533/4885SMN1; SMN2 3087/4885

“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.