SCHEMBL7798

SCHEMBL7798

NC(=O)c1ccc2c(c1)cc(C(=O)O)n2O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.62
LDHA P00338 2/20 0.58
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.46
LCK P06239 1/20 0.43
PLA2G10 O15496 2/20 0.41
MCL1 Q07820 2/20 0.41
HPGD P15428 2/20 0.41
ROCK2 O75116 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PLAU P00749 1/20 0.40
KMT2A Q03164 1/20 0.39
FGFR1 P11362 1/20 0.39
TSHR P16473 1/20 0.39
JAK2 O60674 1/20 0.37

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
SCHEMBL8628 0.88 LDHA (0.63) DAOLDHAALDH1A1KDM4EHSD17B10
SCHEMBL7773 0.87 DAO (0.62) DAOLDHAALDH1A1KDM4EHSD17B10
SCHEMBL10022665 0.82 MCL1 (0.63) ALDH1A1KDM4EHSD17B10SMN1; SMN2BRD4
SCHEMBL7561 0.77 DAO (1.00) DAOLDHAALDH1A1PLA2G10MCL1
SCHEMBL14118540 0.76 KDM4E (0.68) DAOLDHAALDH1A1KDM4EHSD17B10
SCHEMBL28238032 0.75 KDM4E (0.60) ALDH1A1KDM4EHSD17B10SMN1; SMN2BRD4
SCHEMBL8987 0.74 PKM (0.51) DAOLDHASMN1; SMN2HPGDKMT2A
SCHEMBL14118359 0.74 LDHA (0.55) DAOLDHAKDM4EPLAUKMT2A
SCHEMBL13308 0.73 LDHA (1.00) DAOLDHAALDH1A1MCL1TSHR
SCHEMBL14118527 0.72 LDHA (0.56) DAOLDHAALDH1A1KDM4EHSD17B10

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 DAO 565/4885LDHA 1/4885ALDH1A1 84/4885

“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.