SCHEMBL3758439

SCHEMBL3758439

CCC#CCCCCOc1cccc(CN)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.38
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
RPS6KA1 Q15418 1/20 0.33
MCHR1 Q99705 2/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
CHRM2 P08172 3/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3771871 0.96 L3MBTL1 (0.36) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3764404 0.92 RPS6KA1 (0.34) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3770664 0.87 L3MBTL1 (0.36) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3772924 0.87 CYP1A2 (0.37) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3769110 0.86 L3MBTL1 (0.35) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3764290 0.86 CYP1A2 (0.40) L3MBTL1CYP1A2CYP2C9CYP2C19RPS6KA1
SCHEMBL3758658 0.83 RPS6KA1 (0.34) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3764651 0.83 CYP1A2 (0.35) L3MBTL1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3770661 0.82 RPS6KA1 (0.36) L3MBTL1CYP1A2RPS6KA1KDM4E
SCHEMBL3761760 0.82 PTGS2 (0.38) CYP1A2CYP2C9CYP2C19RPS6KA1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 US 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 (1 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 L3MBTL1 40/4885TDP1 4310/4885CYP1A2 1291/4885

“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.