SCHEMBL12377616

SCHEMBL12377616

C#CCOc1c(C)cc(C(=O)N2C3CCCCC32)cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 5/20 0.33
PKM P14618 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NR1H4 Q96RI1 1/20 0.32
PDE4B Q07343 1/20 0.32
HSD11B1 P28845 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR1A P08908 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
SCHEMBL4248562 0.85 GAA (0.44) GAASMN1; SMN2ALDH1A1KMT2APDE4B
SCHEMBL4245845 0.84 GYS1 (0.34) GAASMN1; SMN2MEN1KMT2A
SCHEMBL12379064 0.84 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL13293484 0.79 ALDH1A1 (0.45) GAASMN1; SMN2ALDH1A1PKMMEN1
SCHEMBL12377613 0.75 POLB (0.41) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4240861 0.75 HPGD (0.50) SMN1; SMN2ALDH1A1PDE4BLMNA
SCHEMBL12377614 0.74 HTT (0.36) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4245711 0.73 GYS1 (0.40) ALDH1A1PDE4BHSD11B1
SCHEMBL12377618 0.73 NPC1 (0.45) LMNA
SCHEMBL12377617 0.72 LMNA (0.40) SMN1; SMN2ALDH1A1LMNACHRNB2CHRNB4

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 5 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-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 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 (3 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA GAA 251/4885SMN1; SMN2 1812/4885ALDH1A1 1905/4885
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 GAA 1309/4885SMN1; SMN2 3032/4885ALDH1A1 2111/4885
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 GAA 1837/4885SMN1; SMN2 3629/4885ALDH1A1 3021/4885

“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.