SCHEMBL8352

SCHEMBL8352

O=C(O)c1cc2ccc(Br)cc2n1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.61
DAO P14920 1/20 0.61
MCL1 Q07820 2/20 0.54
CCR9 P51686 1/20 0.50
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KMO O15229 1/20 0.41
CCR2 P41597 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
PIM1 P11309 1/20 0.38
FABP4 P15090 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3638805 0.81 MCL1 (0.53) LDHADAOMCL1CCR9ALDH1A1
SCHEMBL6752295 0.81 MCL1 (0.76) DAOMCL1CCR9ALDH1A1KMO
SCHEMBL24457585 0.79 LDHA (0.61) LDHADAOMCL1CCR9ALDH1A1
SCHEMBL8664 0.79 LDHA (0.61) LDHADAOMCL1ALDH1A1TSHR
SCHEMBL20909817 0.77 MCL1 (0.49) LDHADAOMCL1CCR9ALDH1A1
SCHEMBL20909821 0.77 MCL1 (0.53) LDHADAOMCL1CCR9ALDH1A1
SCHEMBL20909819 0.77 CCR9 (0.62) MCL1CCR9ALDH1A1CCR2
SCHEMBL20909816 0.77 MCL1 (0.49) LDHADAOMCL1CCR9ALDH1A1
SCHEMBL7773 0.76 DAO (0.62) LDHADAOMCL1ALDH1A1TSHR
SCHEMBL7300 0.76 LDHA (1.00) LDHADAOMCL1ALDH1A1TSHR

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 565/4885MCL1 1571/4885

“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.