SCHEMBL8532606

SCHEMBL8532606

FC(F)(F)Oc1ccc(Cn2cc(I)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KLKB1 P03952 1/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
AADAT Q8N5Z0 1/20 0.41
CACNA1H O95180 3/20 0.40
CACNA1G O43497 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SCN5A Q14524 1/20 0.40
TEAD1 P28347 2/20 0.39
NAMPT P43490 1/20 0.39
CHRM5 P08912 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL18987214 0.86 ALDH1A1 (0.43) ALDH1A1TSHRABL1BCRSCN5A
SCHEMBL18097766 0.82 TSHR (0.55) ALDH1A1TSHRKLKB1ABL1BCR
SCHEMBL19002057 0.82 KLKB1 (0.48) ALDH1A1TSHRKLKB1AADATKCNH2
SCHEMBL21503349 0.81 KLKB1 (0.45) ALDH1A1TSHRKLKB1ABL1BCR
SCHEMBL671859 0.80 L3MBTL1 (0.50) ALDH1A1KLKB1MAPT
Hydrochloric Acid SCHEMBL21491618 0.80 KLKB1 (0.45) ALDH1A1TSHRKLKB1ABL1BCR
Hydrochloric Acid SCHEMBL28525601 0.78 KLKB1 (0.46) ALDH1A1TSHRKLKB1ABL1BCR
SCHEMBL8531452 0.77 FFAR1 (0.50) ALDH1A1TSHRKLKB1ABL1BCR
SCHEMBL8534390 0.75 KLKB1 (0.55) ALDH1A1TSHRKLKB1ABL1BCR
SCHEMBL8641487 0.75 CACNA1H (0.52) ALDH1A1TSHRKLKB1ABL1BCR

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 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
EP-3389659-A1 COMBINATION PRODUCT Liverpool School of Tropical Medicine (GB) 2018-10-24 EP disclosed
CN-108697705-A combination product 利物浦热带医学院 2018-10-23 CN 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 ALDH1A1 846/4885TSHR 3918/4885KLKB1 4009/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 ALDH1A1 857/4885TSHR 3855/4885KLKB1 3569/4885

“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.