SCHEMBL16240258

SCHEMBL16240258

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.72
NOTUM Q6P988 3/20 0.44
CCR2 P41597 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A3 Q01959 6/20 0.39
SLC6A2 P23975 3/20 0.39
KDM4E B2RXH2 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
PKM P14618 1/20 0.38
RCE1 Q9Y256 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 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
SCHEMBL16240283 0.89 LDHA (0.79) LDHANOTUMALDH1A1LMNAMAPT
SCHEMBL16240538 0.86 LDHA (0.74) LDHANOTUMALDH1A1MAPTKDM4E
SCHEMBL16240296 0.86 LDHA (0.71) LDHACCR2AKR1C3AKR1C2
SCHEMBL16240031 0.85 LDHA (0.66) LDHANOTUMMAPTSMN1; SMN2KDM4E
SCHEMBL15070120 0.84 LDHA (1.00) LDHANOTUMALDH1A1HPGDSMN1; SMN2
SCHEMBL16241236 0.83 LDHA (0.77) LDHAAKR1C2
SCHEMBL16240393 0.83 LDHA (0.66) LDHANOTUMSLC6A3
SCHEMBL16240536 0.82 LDHA (0.68) LDHANOTUMCCR2ALDH1A1MAPT
SCHEMBL16240287 0.81 LDHA (0.76) LDHA
SCHEMBL16240929 0.75 LDHA (0.71) LDHAALDH1A1L3MBTL1

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 2229/4885CCR2 2549/4885

“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.