SCHEMBL2291345

SCHEMBL2291345

CC#COc1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
L3MBTL1 Q9Y468 3/20 0.66
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.55
G6PD P11413 1/20 0.55
GAA P10253 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 1/20 0.50
KCNA3 P22001 1/20 0.50

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
SCHEMBL10073037 0.89 MEN1 (0.84) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL10073048 0.80 LMNA (0.77) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL10073032 0.78 ALDH1A1 (0.72) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL9427696 0.76 ALDH1A1 (0.69) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL3904049 0.75 MEN1 (0.97) MEN1KMT2AL3MBTL1ALDH1A1KCNA3
SCHEMBL558502 0.75 ALDH1A1 (0.70) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL3455503 0.74 MEN1 (1.00) MEN1KMT2AL3MBTL1ALDH1A1KCNA3
SCHEMBL759572 0.73 PSEN1 (0.64) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL10083664 0.73 LMNA (1.00) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL13066384 0.72 MEN1 (0.69) MEN1KMT2AL3MBTL1ALDH1A1LMNA

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-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
EP-2151432-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES Sumitomo Chemical Company, Limited (JP) 2010-02-10 EP 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 MEN1 3175/4885KMT2A 1706/4885L3MBTL1 87/4885

“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.