SCHEMBL3758658

SCHEMBL3758658

CC#CCCCOc1cccc(CN)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.34
L3MBTL1 Q9Y468 5/20 0.33
HTR1B P28222 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAOB P27338 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH1 P35367 2/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3770664 0.96 L3MBTL1 (0.36) RPS6KA1L3MBTL1HTR1BTDP1KDM4E
SCHEMBL3769110 0.94 L3MBTL1 (0.35) RPS6KA1L3MBTL1HTR1BTDP1KDM4E
SCHEMBL3771148 0.93 RPS6KA1 (0.35) RPS6KA1L3MBTL1HTR1BTDP1KDM4E
SCHEMBL3772924 0.87 CYP1A2 (0.37) RPS6KA1L3MBTL1HTR1BTDP1KDM4E
SCHEMBL3771871 0.87 L3MBTL1 (0.36) RPS6KA1L3MBTL1HTR1BTDP1KDM4E
SCHEMBL3758606 0.83 RPS6KA1 (0.36) RPS6KA1L3MBTL1MAOB
SCHEMBL3764290 0.83 CYP1A2 (0.40) RPS6KA1L3MBTL1HTR1BCYP1A2CYP2C9
SCHEMBL3758439 0.83 L3MBTL1 (0.38) RPS6KA1L3MBTL1HTR1BTDP1KDM4E
SCHEMBL3764508 0.82 HTR1B (0.35) RPS6KA1L3MBTL1HTR1BTDP1KDM4E
Hydrochloric Acid SCHEMBL921369 0.81 KDM4E (0.37) RPS6KA1L3MBTL1HTR1BTDP1KDM4E

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 RPS6KA1 1556/4885L3MBTL1 40/4885HTR1B 2458/4885

“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.