SCHEMBL21953403

SCHEMBL21953403

O=C(OCOCOC(=O)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
TXNRD1 Q16881 1/20 0.46
ELANE P08246 7/20 0.44
FEN1 P39748 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7288587 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL3764257 0.80 RAB9A (0.55) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL8493097 0.80 CA12 (0.66) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL6801086 0.78 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL21953836 0.78 CES2 (0.52) ALDH1A1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL11927841 0.78 RAB9A (0.54) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL12831174 0.77 RAB9A (0.52) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL7397626 0.77 L3MBTL1 (0.46) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL11228519 0.77 L3MBTL1 (0.52) ALDH1A1L3MBTL1KMT2ATDP1MEN1
SCHEMBL3316733 0.77 L3MBTL1 (0.46) ALDH1A1L3MBTL1KMT2ATDP1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891129-A1 SYNTHESIS OF OXIME NERVE AGENT ANTIDOTES SOUTHWEST RESEARCH INSTITUTE (US) 2021-10-13 EP disclosed
WO-2020117525-A1 SYNTHESIS OF OXIME NERVE AGENT ANTIDOTES SOUTHWEST RESEARCH INSTITUTE (US) 2020-06-11 WO disclosed
WO-2020117525-A1 SYNTHESIS OF OXIME NERVE AGENT ANTIDOTES SOUTHWEST RESEARCH INSTITUTE (US) 2020-06-11 WO disclosed
US-10633340-B1 Synthesis of oxime nerve agent antidotes SOUTHWEST RESEARCH INSTITUTE (US) 2020-04-28 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-10633340-B1 Synthesis of oxime nerve agent antidotes ACHE, BCHE, PNPO ALDH1A1 1751/4885L3MBTL1 1758/4885KMT2A 1347/4885

“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.