SCHEMBL8532964

SCHEMBL8532964

Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.52
KIF11 P52732 3/20 0.44
SLC6A4 P31645 1/20 0.41
CYP2D6 P10635 2/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NPC1 O15118 1/20 0.38
AR P10275 2/20 0.37
CDK8 P49336 1/20 0.37
NTRK3 Q16288 1/20 0.37

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
SCHEMBL8515371 0.92 MAT2A (0.56) MAT2AKIF11CYP2D6MAPTKMT2A
SCHEMBL8537794 0.90 MAT2A (0.50) MAT2AKIF11SLC6A4CYP2D6MAPT
SCHEMBL8533470 0.89 MAT2A (0.54) MAT2AKIF11CYP2D6MAPTKMT2A
SCHEMBL29505903 0.89 MAT2A (0.54) MAT2AKIF11CYP2D6MAPTKMT2A
SCHEMBL8533461 0.87 MAT2A (0.56) MAT2AKIF11KMT2AESR1
SCHEMBL20983234 0.87 MAT2A (0.58) MAT2AMAPTESR1ABCG2NPC1
SCHEMBL8537609 0.86 KIF11 (0.44) MAT2AKIF11SLC6A4MAPTKMT2A
SCHEMBL8535303 0.86 MAT2A (0.55) MAT2AKIF11SLC6A4
SCHEMBL20983232 0.86 MAT2A (0.55) MAT2AKIF11ESR1NPC1AR
SCHEMBL8515688 0.86 MAT2A (0.55) MAT2AKIF11MAPTESR1

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 9 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-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 2588/4885SLC6A4 908/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 MAT2A 2903/4885KIF11 1969/4885SLC6A4 725/4885

“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.