SCHEMBL16240296

SCHEMBL16240296

O=C(O)c1cc2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)cc2n1O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.71
CCR2 P41597 7/20 0.49
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
KMO O15229 4/20 0.38
TTR P02766 1/20 0.38
ABCB11 O95342 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
SCHEMBL8149 0.88 LDHA (0.79) LDHACCR2KMO
SCHEMBL16240258 0.86 LDHA (0.72) LDHACCR2AKR1C3AKR1C2
SCHEMBL16240013 0.85 LDHA (0.74) LDHACCR2AKR1C3AKR1C2ABCB11
SCHEMBL16240391 0.83 LDHA (0.65) LDHACCR2ABCB11
SCHEMBL7624 0.83 LDHA (1.00) LDHACCR2
SCHEMBL12838 0.81 LDHA (0.65) LDHACCR2
SCHEMBL16240396 0.80 LDHA (0.67) LDHACCR2
SCHEMBL16240438 0.80 LDHA (0.73) LDHAAKR1C2
SCHEMBL16240015 0.77 LDHA (0.72) LDHA
SCHEMBL16240283 0.74 LDHA (0.79) 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 2549/4885AKR1C3 265/4885

“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.