SCHEMBL16240396

SCHEMBL16240396

O=C(O)c1cc2c(C(F)(F)F)cc(-c3cccc(Cl)c3Cl)cc2n1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.67
CCR2 P41597 3/20 0.44
CNR2 P34972 3/20 0.41
RORC P51449 4/20 0.36
FABP4 P15090 3/20 0.35
PPARG P37231 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL16240536 0.87 LDHA (0.68) LDHACCR2CNR2RORC
SCHEMBL12838 0.83 LDHA (0.65) LDHACCR2RORC
SCHEMBL16240391 0.83 LDHA (0.65) LDHACCR2CNR2PPARGDAO
SCHEMBL7624 0.80 LDHA (1.00) LDHACCR2DAO
SCHEMBL16240296 0.80 LDHA (0.71) LDHACCR2
SCHEMBL8149 0.80 LDHA (0.79) LDHACCR2DAO
SCHEMBL16240013 0.79 LDHA (0.74) LDHACCR2DAO
SCHEMBL16240380 0.79 LDHA (0.69) LDHADAO
SCHEMBL8347 0.75 LDHA (0.66) LDHACCR2RORCPPARGDAO
SCHEMBL16240015 0.74 LDHA (0.72) LDHA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 US claimed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 US 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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885CCR2 2549/4885CNR2 2615/4885

“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.