SCHEMBL12379047

SCHEMBL12379047

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
HTR2A P28223 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 3/20 0.32
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL12379055 0.84 KDM4E (0.34) MMP1MMP9MMP13ADAM17HTR2A
SCHEMBL12379054 0.82 HTT (0.34) MMP1MMP9MMP13ADAM17HTR2A
SCHEMBL12379052 0.81 NPC1 (0.49) MMP1MMP9MMP13ADAM17MAOA
SCHEMBL12377617 0.81 LMNA (0.40) MMP1MMP9MMP13ADAM17HTR2A
SCHEMBL13430693 0.75 HDAC1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4MAOA
SCHEMBL17689585 0.74 MAOA (0.37) MAOAMAOBALDH1A1KDM4EGLA
SCHEMBL12379064 0.74 ALDH1A1 (0.31) ALDH1A1HTT
SCHEMBL10976192 0.70 ALDH1A1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12377613 0.69 POLB (0.41) MAOAMAOBALDH1A1KDM4EGLA
SCHEMBL18026668 0.69 HCRTR1 (0.49) HTR2AGLAGAANPC1MAPT

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 MMP1 2178/4885MMP9 1627/4885MMP13 1452/4885
US-20100048701-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 MMP1 2974/4885MMP9 4208/4885MMP13 897/4885

“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.