SCHEMBL8533957

SCHEMBL8533957

Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.51
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
KIF11 P52732 3/20 0.43
HTT P42858 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL8534846 0.87 ALDH1A1 (0.50) PDE10ATNKSTNKS2KIF11HTT
SCHEMBL21024209 0.85 PDE10A (0.47) PDE10ATNKS2KIF11HTTKDM4E
SCHEMBL8638407 0.83 SCD (0.45) PDE10ATNKSTNKS2KIF11HTT
SCHEMBL8536439 0.82 PDE10A (0.54) PDE10AKIF11HTTKDM4EALDH1A1
SCHEMBL9607489 0.79 HTT (0.48) PDE10ATNKS2KIF11HTTKDM4E
SCHEMBL8533456 0.79 PTGS2 (0.52) TNKS2KIF11HTTKDM4EALDH1A1
SCHEMBL8532778 0.78 PTGS2 (0.46) PDE10AKIF11HTTKDM4EALDH1A1
SCHEMBL26724947 0.77 KIF11 (0.47) PDE10ATNKSTNKS2KIF11HTT
SCHEMBL8533400 0.75 KIF11 (0.47) PDE10ATNKS2KIF11HTTKDM4E
SCHEMBL16585681 0.74 CTSV (0.57) TNKSTNKS2KIF11GAALMNA

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 8 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
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 PDE10A 2849/4885TNKS 4329/4885TNKS2 4317/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 PDE10A 2063/4885TNKS 4353/4885TNKS2 4295/4885

“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.