SCHEMBL8014

SCHEMBL8014

O=C(O)c1cc2c(-c3ccccc3)cccc2n1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.56
LDHA P00338 7/20 0.55
CCR2 P41597 1/20 0.54
HTR6 P50406 1/20 0.43
HNF4A P41235 1/20 0.41
FEN1 P39748 1/20 0.40
MCL1 Q07820 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL14118716 0.77 DAO (0.54) DAOLDHACCR2MCL1HDAC4
SCHEMBL8261 0.77 CCR2 (0.56) DAOLDHACCR2MCL1HDAC4
SCHEMBL8260 0.77 DAO (0.59) DAOLDHAMCL1HDAC4HDAC1
SCHEMBL8055 0.77 DAO (0.54) DAOLDHACCR2FEN1MCL1
SCHEMBL7731 0.75 LDHA (0.67) DAOLDHACCR2MCL1MAOA
SCHEMBL7819 0.74 LDHA (0.68) DAOLDHAMCL1HDAC8HDAC6
SCHEMBL8347 0.73 LDHA (0.66) DAOLDHACCR2HDAC4HDAC1
SCHEMBL8027 0.72 LDHA (1.00) DAOLDHAHDAC1HDAC8HDAC6
SCHEMBL7561 0.72 DAO (1.00) DAOLDHACCR2MCL1ALDH1A1
SCHEMBL14118398 0.71 LDHA (0.60) DAOLDHAMCL1MAOAMAOB

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 1/4885CCR2 4452/4885

“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.