SCHEMBL3770772

SCHEMBL3770772

C#CCCCCOc1cccc(CN)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTR1B P28222 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
MAOB P27338 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3776746 0.98 ALDH1A1 (0.36) ADRB2L3MBTL1HTR1BTDP1ABCG2
SCHEMBL3764905 0.98 ALDH1A1 (0.36) ADRB2L3MBTL1HTR1BTDP1ABCG2
Hydrochloric Acid SCHEMBL920158 0.98 KDM4E (0.36) ADRB2L3MBTL1HTR1BTDP1ABCG2
SCHEMBL3764508 0.95 HTR1B (0.35) ADRB2L3MBTL1HTR1BTDP1ABCG2
Hydrochloric Acid SCHEMBL921369 0.94 KDM4E (0.37) ADRB2L3MBTL1HTR1BTDP1ABCG2
SCHEMBL3759954 0.91 PNMT (0.35) L3MBTL1HTR1BPNMTKDM4ERPS6KA1
SCHEMBL3770664 0.82 L3MBTL1 (0.36) L3MBTL1HTR1BTDP1CYP3A4KDM4E
SCHEMBL3758439 0.81 L3MBTL1 (0.38) L3MBTL1HTR1BTDP1CYP3A4ALOX15
SCHEMBL3769110 0.81 L3MBTL1 (0.35) L3MBTL1HTR1BTDP1ALDH1A1CYP3A4
SCHEMBL3766553 0.81 MAPT (0.46) CYP3A4PNMTRPS6KA1MAOBLOXL2

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 ADRB2 2702/4885L3MBTL1 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.