SCHEMBL7988

SCHEMBL7988

O=C(O)c1cc2ccc(-n3cc(-c4ccccn4)nn3)cc2n1O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.70
MIF P14174 6/20 0.53
FLT3 P36888 4/20 0.50
GRM5 P41594 1/20 0.47
DAO P14920 1/20 0.45
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
METAP1 P53582 1/20 0.38

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
SCHEMBL12031 0.80 LDHA (0.80) LDHA
SCHEMBL11775 0.79 LDHA (0.72) LDHADAO
SCHEMBL8015 0.77 LDHA (0.69) LDHADAO
SCHEMBL23259255 0.76 MIF (0.65) MIFFLT3GRM5GSK3BKDM4E
SCHEMBL8428 0.75 LDHA (0.84) LDHADAOGSK3B
SCHEMBL13224 0.74 LDHA (0.83) LDHAMIFDAOGSK3B
SCHEMBL7923 0.74 LDHA (0.84) LDHA
SCHEMBL8304 0.72 LDHA (0.87) LDHAMIFDAOGSK3B
SCHEMBL6953018 0.72 FLT3 (0.77) MIFFLT3GRM5GSK3BKDM4E
SCHEMBL28464554 0.70 FLT3 (0.73) MIFFLT3GRM5GSK3B

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 1/4885MIF 880/4885FLT3 1949/4885

“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.