SCHEMBL8537649

SCHEMBL8537649

Cc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.52
KIF11 P52732 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
CYP2D6 P10635 3/20 0.38
PDE10A Q9Y233 2/20 0.38
LIPE Q05469 1/20 0.37
LTA4H P09960 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
ACP1 P24666 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
SCHEMBL8537958 0.88 ALDH1A1 (0.44) MAT2AGPR84CYP2D6PDE10ALTA4H
SCHEMBL18987275 0.88 MAT2A (0.69) MAT2AKIF11CYP2D6CTSDBACE1
SCHEMBL8537912 0.87 MAT2A (0.59) MAT2AKIF11CYP2D6PDE10ACYP11B1
SCHEMBL8533470 0.87 MAT2A (0.54) MAT2AKIF11CYP2D6PDE10ASCN9A
SCHEMBL29505903 0.87 MAT2A (0.54) MAT2AKIF11CYP2D6PDE10ASCN9A
SCHEMBL8515371 0.84 MAT2A (0.56) MAT2AKIF11CYP2D6PDE10AACP1
SCHEMBL8532964 0.79 MAT2A (0.52) MAT2AKIF11CYP2D6PDE10AMAPT
SCHEMBL8536444 0.76 MAT2A (0.64) MAT2AKIF11BACE1KCNH2SCN10A
SCHEMBL8535564 0.76 MAT2A (0.66) MAT2AACP1DHODHMAPTKMT2A
SCHEMBL8530848 0.76 MAT2A (0.77) MAT2AKIF11CYP2D6ACP1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US claimed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 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 (2 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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 MAT2A 3025/4885KIF11 2588/4885GPR84 2140/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 MAT2A 2903/4885KIF11 1969/4885GPR84 2171/4885

“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.