SCHEMBL3764508

SCHEMBL3764508

C#CCCCOc1cccc(CN)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.35
PNMT P11086 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ADRB2 P07550 1/20 0.33
MAOB P27338 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
MAOA P21397 1/20 0.31
EGFR P00533 1/20 0.31

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
Hydrochloric Acid SCHEMBL921369 0.98 KDM4E (0.37) HTR1BPNMTKDM4ELOXL2HPGD
SCHEMBL3770772 0.95 ADRB2 (0.34) HTR1BPNMTKDM4ELOXL2HPGD
SCHEMBL3776746 0.94 ALDH1A1 (0.36) HTR1BPNMTKDM4ELOXL2HPGD
SCHEMBL3764905 0.94 ALDH1A1 (0.36) HTR1BPNMTKDM4ELOXL2HPGD
Hydrochloric Acid SCHEMBL920158 0.94 KDM4E (0.36) HTR1BPNMTKDM4ELOXL2HPGD
SCHEMBL3759954 0.92 PNMT (0.35) HTR1BPNMTKDM4ELOXL2HPGD
SCHEMBL3766553 0.82 MAPT (0.46) PNMTLOXL2RPS6KA1MAOBCA12
SCHEMBL3758658 0.82 RPS6KA1 (0.34) HTR1BKDM4EHPGDSMN1; SMN2RPS6KA1
SCHEMBL3772924 0.81 CYP1A2 (0.37) HTR1BKDM4EHPGDRPS6KA1L3MBTL1
SCHEMBL3771871 0.81 L3MBTL1 (0.36) HTR1BKDM4EHPGDSMN1; SMN2RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 US disclosed
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 (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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 HTR1B 4561/4885PNMT 644/4885KDM4E 3657/4885
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 HTR1B 2458/4885PNMT 695/4885KDM4E 2021/4885

“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.