SCHEMBL13885601

SCHEMBL13885601

O=C(OCc1ccncc1)c1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ LMNA P02545 4/20 0.69
▸ KDM4E B2RXH2 2/20 0.66
▸ NAMPT P43490 1/20 0.57
▸ ESR1 P03372 4/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ SLC6A2 P23975 2/20 0.55
▸ ESR2 Q92731 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CHRM1 P11229 1/20 0.51

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
SCHEMBL1549061 0.87 KMT2A (1.00) KMT2AMEN1LMNAKDM4EESR1
SCHEMBL29245494 0.87 KMT2A (1.00) KMT2AMEN1LMNAKDM4EESR1
SCHEMBL14062862 0.86 KMT2A (0.76) KMT2AMEN1LMNAKDM4ENAMPT
Hydrogen Sulfide SCHEMBL31314884 0.85 KMT2A (0.96) KMT2AMEN1LMNAKDM4EESR1
Hydrochloric Acid SCHEMBL11489831 0.85 KMT2A (0.60) KMT2AMEN1LMNAKDM4ENAMPT
Hydrochloric Acid SCHEMBL11482386 0.82 SMN1; SMN2 (0.58) KMT2AMEN1LMNAKDM4ENAMPT
SCHEMBL7864938 0.82 KMT2A (0.76) KMT2AMEN1LMNAKDM4ETDP1
SCHEMBL27578 0.81 LMNA (1.00) KMT2AMEN1LMNAESR1TDP1
SCHEMBL12011003 0.81 KDM4E (0.69) KMT2AMEN1LMNAKDM4ENAMPT
SCHEMBL2519911 0.80 LMNA (0.96) KMT2AMEN1LMNAESR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 — — US disclosed
US-7514556-B2 Inhibitors of β-lactamase METHYLGENE INC. (CA) 2009-04-07 — — US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 — — US disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — 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-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 KMT2A 2212/4885MEN1 3908/4885LMNA 1497/4885

“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.

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