SCHEMBL2879870

SCHEMBL2879870

COc1ccc([C@@H](N)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
PARP10 Q53GL7 2/20 0.53
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
ALOX5 P09917 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TNF P01375 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.45
ACP3 P15309 1/20 0.44
AOC3 Q16853 1/20 0.44

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
SCHEMBL1115061 1.00 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL1354444 1.00 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL7037842 0.84 LDHA (0.52) CA1CA2PARP10PARP1PARP2
SCHEMBL7042339 0.84 LDHA (0.52) CA1CA2PARP10PARP1PARP2
SCHEMBL5281443 0.84 LDHA (0.52) CA1CA2PARP10PARP1PARP2
SCHEMBL4593652 0.83 CA1 (0.57) CA1CA2PARP10PARP1PARP2
SCHEMBL1969493 0.82 RAB9A (0.49) CA1CA2PARP10PARP1PARP2
SCHEMBL11213232 0.82 CA1 (0.47) CA1CA2PARP10PARP1PARP2
SCHEMBL2426957 0.82 RAB9A (0.49) CA1CA2PARP10PARP1PARP2
SCHEMBL4507705 0.82 CA1 (0.55) CA1CA2PARP10PARP1PARP2

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-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 CA1 2516/4885CA2 890/4885PARP10 1156/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 CA1 2516/4885CA2 890/4885PARP10 1156/4885

“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.