SCHEMBL9607063

SCHEMBL9607063

CCC(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
LIPE Q05469 6/20 0.50
VNN1 O95497 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
MAPT P10636 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 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
SCHEMBL13279297 0.86 PDE4B (0.54) LMNALIPEVNN1HRH3MAPT
SCHEMBL18986986 0.85 LMNA (0.56) LMNALIPEVNN1HRH3MAPT
SCHEMBL9607407 0.85 HRH3 (0.58) LMNALIPEHRH3KDM4EL3MBTL1
SCHEMBL24376943 0.83 KDM4E (0.56) LMNALIPEHRH3MAPTKDM4E
SCHEMBL9607172 0.83 EPHX2 (0.52) HRH3MAPTHDAC3HDAC1HDAC2
SCHEMBL5530111 0.82 OPRM1 (0.56) LMNALIPEHRH3OPRM1OPRD1
SCHEMBL14240948 0.82 HRH3 (0.56) HRH3MAPTOPRM1OPRD1OPRK1
SCHEMBL9607344 0.82 RXFP1 (0.50) VNN1MAPTHDAC3HDAC1HDAC2
SCHEMBL6141283 0.81 HDAC3 (0.54) HRH3MAPTHDAC3HDAC1HDAC2
SCHEMBL6177649 0.77 KDM4E (0.55) LMNAMAPTKDM4ETDP1OPRM1

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 4 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-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

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 LMNA 3846/4885LIPE 4702/4885VNN1 801/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 LMNA 3756/4885LIPE 4531/4885VNN1 1065/4885

“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.