SCHEMBL12379064

SCHEMBL12379064

C#CCOc1c(C)cc(C(=O)N2C3CCCCC32)c(C)c1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CSNK1D P48730 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
SCHEMBL12377616 0.84 GAA (0.35) ALDH1A1SMN1; SMN2
SCHEMBL12379061 0.82 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL12379055 0.77 KDM4E (0.34) ALDH1A1HTTSMN1; SMN2
SCHEMBL12379054 0.76 HTT (0.34) ALDH1A1HTTSMN1; SMN2
SCHEMBL12379052 0.75 NPC1 (0.49) ALDH1A1HTT
SCHEMBL4248562 0.74 GAA (0.44) ALDH1A1HTTSMN1; SMN2
SCHEMBL12379047 0.74 MMP1 (0.37) ALDH1A1HTT
SCHEMBL4245845 0.73 GYS1 (0.34) SMN1; SMN2
SCHEMBL17689585 0.69 MAOA (0.37) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL4240861 0.68 HPGD (0.50) ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-7956010-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100048701-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-25 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-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 ALDH1A1 2983/4885HTT 4158/4885SMN1; SMN2 3408/4885
US-20100048701-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 ALDH1A1 2614/4885HTT 3034/4885SMN1; SMN2 3655/4885

“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.