SCHEMBL12413484

SCHEMBL12413484

C#CCOc1c(CO)cc(C(=O)NCC2(N(C)C)CCCCC2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.69
SLC6A5 Q9Y345 11/20 0.64
HTR2A P28223 2/20 0.52
P2RX3 P56373 1/20 0.51
LMNA P02545 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2292348 0.92 TP53 (0.77) TP53SLC6A5HTR2AP2RX3LMNA
SCHEMBL5017789 0.82 TP53 (1.00) TP53SLC6A5HTR2AP2RX3LMNA
SCHEMBL2289214 0.81 TP53 (0.58) TP53SLC6A5LMNAOPRM1OPRD1
SCHEMBL4244675 0.81 TP53 (0.58) TP53SLC6A5HTR2AP2RX3L3MBTL1
SCHEMBL4244663 0.81 TP53 (0.58) TP53SLC6A5HTR2AP2RX3L3MBTL1
SCHEMBL5022323 0.79 SLC6A5 (1.00) TP53SLC6A5HTR2AP2RX3LMNA
SCHEMBL4603996 0.78 TP53 (0.55) TP53SLC6A5HTR2AP2RX3L3MBTL1
SCHEMBL5017983 0.78 TP53 (0.81) TP53SLC6A5HTR2AP2RX3LMNA
SCHEMBL5015969 0.78 SLC6A5 (1.00) TP53SLC6A5HTR2AP2RX3OPRM1
SCHEMBL3230103 0.77 TP53 (0.54) TP53SLC6A5HTR2AP2RX3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 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-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 TP53 4023/4885SLC6A5 4673/4885HTR2A 2876/4885

“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.