SCHEMBL2879728

SCHEMBL2879728

COc1ccc(CC(=O)NC(C(N)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.62
HTT P42858 1/20 0.61
ALDH1A1 P00352 5/20 0.60
UTS2R Q9UKP6 2/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK8 P45983 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
EPHX2 P34913 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2879729 1.00 CNR2 (0.62) CNR2HTTALDH1A1UTS2RCYP3A4
SCHEMBL13683338 0.85 LMNA (0.51) CNR2ALDH1A1LMNASMN1; SMN2CA1
SCHEMBL6873772 0.83 HTT (0.63) CNR2HTTALDH1A1CYP3A4CYP2C19
SCHEMBL5173278 0.82 NPSR1 (0.49) CNR2ALDH1A1CA1CA2
SCHEMBL10970886 0.81 ATM (0.72) HTTALDH1A1CYP3A4CA1CA2
SCHEMBL4566800 0.78 CNR2 (0.67) CNR2ALDH1A1MEN1MAPTKMT2A
SCHEMBL2494898 0.77 HTT (0.73) CNR2HTTALDH1A1NPC1LMNA
SCHEMBL4928502 0.77 HTT (0.73) CNR2HTTALDH1A1NPC1LMNA
SCHEMBL6533411 0.77 CA1 (0.50) NPC1SMN1; SMN2CA1CA2MEN1
SCHEMBL5898954 0.76 ALDH1A1 (0.68) CNR2HTTALDH1A1CYP3A4CYP2C19

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
CN-101544580-B Synthesis method of R-alpha-amino-4-methoxy phenylacetamide 大连凯飞精细化工有限公司 2019-03-15 CN claimed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 CNR2 2669/4885HTT 2147/4885ALDH1A1 2088/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 CNR2 2669/4885HTT 2147/4885ALDH1A1 2088/4885

“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.