SCHEMBL7731

SCHEMBL7731

O=C(O)c1cc2cc(-c3ccccc3)c(-c3ccccc3)cc2n1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.67
DAO P14920 1/20 0.62
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
MCL1 Q07820 2/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
GPR35 Q9HC97 2/20 0.40
CCR2 P41597 2/20 0.40
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN1 P18031 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
SCHEMBL14118398 0.88 LDHA (0.60) LDHADAOMAOBMAOAMCL1
SCHEMBL13308 0.80 LDHA (1.00) LDHADAOMAOBMAOAMCL1
SCHEMBL7814 0.80 LDHA (1.00) LDHADAOMAOBMAOAMCL1
SCHEMBL7300 0.80 LDHA (1.00) LDHADAOMAOBMAOAMCL1
SCHEMBL7561 0.77 DAO (1.00) LDHADAOMCL1ALDH1A1TSHR
SCHEMBL8014 0.75 DAO (0.56) LDHADAOMAOBMAOAMCL1
SCHEMBL7108 0.74 LDHA (0.82) LDHADAOMAOBMAOAMCL1
SCHEMBL7819 0.72 LDHA (0.68) LDHADAOMCL1ALDH1A1TSHR
SCHEMBL7864 0.72 LDHA (0.78) LDHADAOCCR2
SCHEMBL8712 0.72 LDHA (0.78) LDHADAOALDH1A1CCR2KDM4E

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 8 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 claimed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP claimed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 WO claimed
US-9750761-B2 LDH inhibitors as treatment for fibrosis and fibrotic-related disorders UNIVERSITY OF ROCHESTER (US) 2017-09-05 US disclosed
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS UNIVERSITY OF ROCHESTER (US) 2015-11-26 US disclosed
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 (2 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 565/4885MAOB 599/4885
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS LDHA, LDHB, ALDH1A2 LDHA 1/4885DAO 532/4885MAOB 332/4885

“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.