SCHEMBL8428

SCHEMBL8428

O=C(O)c1cc2ccc(-n3cc(CCO)nn3)cc2n1O

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.84
NOTUM Q6P988 7/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
GSK3B P49841 1/20 0.43
DAO P14920 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
DDX3X O00571 2/20 0.42

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
SCHEMBL14118941 0.91 LDHA (0.69) LDHANOTUMCA1CA2CA4
SCHEMBL13224 0.89 LDHA (0.83) LDHANOTUMJAK2ROCK2GSK3B
SCHEMBL8304 0.87 LDHA (0.87) LDHANOTUMJAK2ROCK2GSK3B
SCHEMBL11775 0.83 LDHA (0.72) LDHADAO
SCHEMBL8317 0.78 LDHA (0.72) LDHAJAK2ROCK2GSK3BDDX3X
SCHEMBL12031 0.77 LDHA (0.80) LDHAMAOAMAOB
SCHEMBL13291 0.75 LDHA (0.67) LDHANOTUMCA1CA2CA4
SCHEMBL7988 0.75 LDHA (0.70) LDHAGSK3BDAO
SCHEMBL14212120 0.75 LDHA (0.70) LDHANOTUMJAK2ROCK2GSK3B
SCHEMBL17185566 0.74 NOTUM (0.59) LDHANOTUMCA1CA2CA4

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
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP disclosed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD LDHA 1/4885NOTUM 1251/4885CA1 354/4885

“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.