SCHEMBL2723600

SCHEMBL2723600

O=c1nc[nH]c2ccc(B(O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.39
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ CA1 P00915 2/20 0.32

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
SCHEMBL29953175 1.00 ENPP2 (0.39) ENPP2LMNAMEN1KMT2APOLB
SCHEMBL25955980 0.87 ENPP2 (0.42) ENPP2LMNAMEN1KMT2APOLB
SCHEMBL2574527 0.77 LMNA (0.57) LMNAMEN1KMT2APOLBPARP1
SCHEMBL2191001 0.77 PARP1 (0.54) LMNAIDO1PARP1ALDH1A1HPGD
SCHEMBL12488697 0.75 ENPP2 (0.44) ENPP2LMNAALDH1A1MAPTHPGD
SCHEMBL8622177 0.75 ACVR1 (0.46) MEN1KMT2APOLBPARP1ALDH1A1
SCHEMBL1584889 0.75 PIM1 (0.56) LMNAMEN1KMT2AIDO1ALDH1A1
SCHEMBL8700858 0.74 PARP1 (0.54) PARP1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1507612 0.74 PARP1 (0.54) LMNAMEN1KMT2APOLBIDO1
SCHEMBL2191063 0.74 PARP1 (0.54) KMT2AIDO1PARP1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 — — EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 — — US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 — — WO 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB ENPP2 1854/4885LMNA 1865/4885MEN1 1656/4885

“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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