SCHEMBL8015

SCHEMBL8015

O=C(O)c1cc2cc(-n3cc(-c4ccccc4)nn3)ccc2n1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.69
DAO P14920 1/20 0.49
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 3/20 0.47
OGT O15294 2/20 0.47
CA1 P00915 3/20 0.46
PTGS2 P35354 2/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
PTGS1 P23219 1/20 0.46
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL7923 0.91 LDHA (0.84) LDHACA2CA9CA1CA4
SCHEMBL7904 0.83 LDHA (0.58) LDHADAO
SCHEMBL12031 0.81 LDHA (0.80) LDHASTIM1ORAI1
SCHEMBL14118941 0.79 LDHA (0.69) LDHADAOCA2CA9CA1
SCHEMBL7988 0.77 LDHA (0.70) LDHADAO
SCHEMBL8027 0.76 LDHA (1.00) LDHADAOCA2CA9CA12
SCHEMBL8317 0.76 LDHA (0.72) LDHA
SCHEMBL19182235 0.74 OGT (0.52) LDHACA2CA9CA12OGT
SCHEMBL29269323 0.74 OGT (0.61) LDHACA2CA9CA12OGT
SCHEMBL13308 0.73 LDHA (1.00) LDHADAO

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 1/4885DAO 565/4885CA2 74/4885

“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.