SCHEMBL8149

SCHEMBL8149

O=C(O)c1cc2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)cc2n1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.79
CCR2 P41597 1/20 0.41
ALAD P13716 1/20 0.40
DAO P14920 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 2/20 0.35
RHEB Q15382 1/20 0.35
KDM1A O60341 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL16240013 0.90 LDHA (0.74) LDHACCR2DAORXRARXRB
SCHEMBL7624 0.88 LDHA (1.00) LDHACCR2DAORXRARXRB
SCHEMBL16240296 0.88 LDHA (0.71) LDHACCR2KMO
SCHEMBL16240391 0.85 LDHA (0.65) LDHACCR2DAODHODHANO1
SCHEMBL12838 0.85 LDHA (0.65) LDHACCR2KDM4E
SCHEMBL16240283 0.85 LDHA (0.79) LDHAKDM4ELMNAMAPTHTT
SCHEMBL16240438 0.84 LDHA (0.73) LDHADHODH
SCHEMBL16240396 0.80 LDHA (0.67) LDHACCR2DAO
SCHEMBL16240015 0.76 LDHA (0.72) LDHADHODH
SCHEMBL15070120 0.75 LDHA (1.00) LDHAKDM4ESMN1; SMN2NOTUMCYP1A2

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 6 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
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 1/4885CCR2 4452/4885ALAD 267/4885
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS LDHA, LDHB, ALDH1A2 LDHA 1/4885CCR2 3579/4885ALAD 586/4885

“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.