SCHEMBL1389469

SCHEMBL1389469

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nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.40
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLG P00747 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A2 P23975 1/20 0.33
RECQL P46063 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33

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
SCHEMBL342051 0.88 USP2 (0.37) LMNAUSP2SLCO1B1SMN1; SMN2KDM4E
SCHEMBL7596511 0.85 MEN1 (0.42) MEN1KMT2A
SCHEMBL15464198 0.84 PAOX (0.35) PAOXCHRM2CHRM4CHRM1SIRT6
SCHEMBL28097660 0.84 MAPK1 (0.38) MEN1KMT2ALMNAKDM4EPDE4A
SCHEMBL2400303 0.81 PAOX (0.35) PAOXSIRT6SIRT1USP2SLCO1B1
SCHEMBL9400767 0.81 PAOX (0.41) PAOXSIRT6SIRT1MEN1KMT2A
SCHEMBL11320333 0.80 LMNA (0.37) MEN1KMT2ALMNAUSP2SLCO1B1
SCHEMBL7549546 0.79 MEN1 (0.43) MEN1KMT2A
SCHEMBL7556113 0.79 MEN1 (0.43) MEN1KMT2A
SCHEMBL11319586 0.77 LMNA (0.39) LMNAUSP2SLCO1B1SMN1; SMN2KDM4E

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-8551447-B2 Bifunctional compound with monosaccharide and N2S2 ligand, and preparation and use thereof INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2013-10-08 US disclosed
US-20120009669-A1 BIFUNCTIONAL COMPOUND WITH MONOSACCHARIDE AND N2S2 LIGAND, AND PREPARATION AND USE THEREOF INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2012-01-12 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-20120009669-A1 BIFUNCTIONAL COMPOUND WITH MONOSACCHARIDE AND N2S2 LIGAND, AND PREPARATION AND USE THEREOF B3GNT2, FUT5, FUT6 PAOX 2532/4885CHRM2 228/4885CHRM4 185/4885

“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.