SCHEMBL15058826

SCHEMBL15058826

COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)c(-c3ccccc3)c2n1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CFTR P13569 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ S1PR1 P21453 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
SCHEMBL7705 0.87 LDHA (0.61) LDHASMN1; SMN2PLK1ALDH1A1KMT2A
SCHEMBL15070120 0.79 LDHA (1.00) LDHASMN1; SMN2ALDH1A1KDM4ECFTR
SCHEMBL16240929 0.70 LDHA (0.71) LDHAALDH1A1AR
SCHEMBL16240536 0.70 LDHA (0.68) LDHAALDH1A1MAPT
SCHEMBL16240538 0.69 LDHA (0.74) LDHAALDH1A1KDM4EMAPTCFTR
SCHEMBL16240287 0.69 LDHA (0.76) LDHAAR
SCHEMBL3903631 0.68 EGFR (0.57) LDHAKMT2AMEN1CFTREGFR
SCHEMBL403196 0.67 PLK1 (0.71) LDHAPLK1ALDH1A1KDM4EKMT2A
SCHEMBL27661998 0.67 CFTR (0.51) LDHAPLK1ALDH1A1KDM4EKMT2A
SCHEMBL16240324 0.67 LDHA (0.72) LDHASMN1; SMN2ALDH1A1KDM4EMAPT

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 disclosed
WO-2013092753-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITÀ DI PISA (IT) 2013-06-27 — — 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 (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 1/4885SMN1; SMN2 4030/4885PLK1 1583/4885

“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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