SCHEMBL16240538

SCHEMBL16240538

COC(=O)c1cc2c(C(F)(F)F)cc(-c3cc(Cl)cc(Cl)c3)cc2n1O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 4/20 0.74
▸ NOTUM Q6P988 4/20 0.37
▸ CFTR P13569 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1C4 P17516 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ AR P10275 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL16240283 0.91 LDHA (0.79) LDHANOTUMALDH1A1L3MBTL1MRGPRX4
SCHEMBL16240258 0.86 LDHA (0.72) LDHANOTUMALDH1A1L3MBTL1MAPT
SCHEMBL15070120 0.85 LDHA (1.00) LDHANOTUMCFTRALDH1A1AR
SCHEMBL16240013 0.85 LDHA (0.74) LDHAAKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL16240393 0.84 LDHA (0.66) LDHANOTUMCFTRMRGPRX4HTT
SCHEMBL16240031 0.84 LDHA (0.66) LDHANOTUMMRGPRX4MAPTHTT
SCHEMBL16241236 0.82 LDHA (0.77) LDHAMRGPRX4AKR1C2AKR1C1
SCHEMBL16240536 0.81 LDHA (0.68) LDHANOTUMALDH1A1MRGPRX4MAPT
SCHEMBL16240287 0.80 LDHA (0.76) LDHAAR
SCHEMBL16240929 0.77 LDHA (0.71) LDHAALDH1A1L3MBTL1AR

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 1/4885NOTUM 2229/4885CFTR 4012/4885

“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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