SCHEMBL16240391

SCHEMBL16240391

O=C(O)c1cc2c(C(F)(F)F)cc(-c3cc(Cl)ccc3Cl)cc2n1O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 4/20 0.65
▸ CCR2 P41597 3/20 0.43
▸ TMPRSS4 Q9NRS4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ABCB11 O95342 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ F11 P03951 2/20 0.33
▸ ORAI1 Q96D31 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL12838 0.91 LDHA (0.65) LDHACCR2
SCHEMBL16240031 0.87 LDHA (0.66) LDHATMPRSS4TP53KDR
SCHEMBL8149 0.85 LDHA (0.79) LDHACCR2ANO1DHODHDAO
SCHEMBL16240296 0.83 LDHA (0.71) LDHACCR2ABCB11
SCHEMBL16240396 0.83 LDHA (0.67) LDHACCR2PPARGDAOCNR2
SCHEMBL16240013 0.83 LDHA (0.74) LDHACCR2ABCB11DAO
SCHEMBL7624 0.79 LDHA (1.00) LDHACCR2ALDH1A1DAO
SCHEMBL16240393 0.78 LDHA (0.66) LDHATMPRSS4
SCHEMBL16240315 0.76 LDHA (0.52) LDHAALDH1A1
SCHEMBL16240325 0.76 LDHA (0.52) LDHATMPRSS4ALDH1A1CNR2

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 2549/4885TMPRSS4 1700/4885

“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.

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