SCHEMBL8631

SCHEMBL8631

O=C(O)c1cc2cc(Oc3ccc(Cl)cc3)ccc2n1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.51
DAO P14920 1/20 0.50
GFER P55789 1/20 0.49
CCR2 P41597 8/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GALR3 O60755 1/20 0.45
GAA P10253 1/20 0.45
CDH1 P12830 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SRD5A2 P31213 1/20 0.40
ABCB11 O95342 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8058 0.81 LDHA (0.77) LDHADAOCCR2
SCHEMBL4914078 0.76 PTGES (0.61) GFERCCR2KDM4EALDH1A1HPGD
SCHEMBL31287827 0.72 GFER (0.67) GFERCCR2KDM4EALDH1A1HPGD
SCHEMBL7835 0.72 LDHA (0.77) LDHADAOCCR2KDM4EMEN1
SCHEMBL8628 0.72 LDHA (0.63) LDHADAOCCR2KDM4EALDH1A1
SCHEMBL8400 0.71 LDHA (0.71) LDHADAOCCR2KDM4EALDH1A1
SCHEMBL13415453 0.71 KDM4E (0.60) CCR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14118540 0.70 KDM4E (0.68) LDHADAOCCR2KDM4EALDH1A1
SCHEMBL523225 0.68 POLB (0.63) ALDH1A1SMN1; SMN2CDH1CTNNB1TCF7L2
SCHEMBL822835 0.68 HPGD (0.59) HPGDSRD5A2POLBMAPK1CHEK2

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 565/4885GFER 2363/4885

“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.