SCHEMBL8664

SCHEMBL8664

O=C(O)c1cc2ccc(F)cc2n1O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.61
DAO P14920 3/20 0.61
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CCR2 P41597 3/20 0.51
MCL1 Q07820 2/20 0.42
TSHR P16473 2/20 0.41
PLA2G10 O15496 1/20 0.40
FABP4 P15090 1/20 0.38
KEAP1 Q14145 1/20 0.38
PDPK1 O15530 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7582 0.87 LDHA (0.77) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL14118540 0.86 KDM4E (0.68) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL5744064 0.81 HSD17B10 (0.76) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL29897910 0.81 HSD17B10 (0.76) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL24457585 0.79 LDHA (0.61) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL8352 0.79 LDHA (0.61) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL8074 0.77 LDHA (0.77) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL19966956 0.77 ALDH1A1 (0.49) LDHADAOALDH1A1KDM4EHPGD
SCHEMBL12466324 0.77 GPR35 (0.60) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL7773 0.76 DAO (0.62) LDHADAOALDH1A1KDM4EHSD17B10

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 565/4885ALDH1A1 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.