SCHEMBL752387

SCHEMBL752387

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(OCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
NPC1 O15118 8/20 0.53
RAB9A P51151 5/20 0.51
POLB P06746 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
EGFR P00533 1/20 0.51
DGAT1 O75907 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL750350 0.88 NPC1 (0.60) CA12CA1CA2CA9NPC1
SCHEMBL10564860 0.88 CA12 (0.67) CA12CA1CA2CA9NPC1
SCHEMBL8253006 0.87 CA12 (0.54) CA12CA1CA2CA9NPC1
SCHEMBL2399503 0.85 CA12 (0.58) CA12CA1CA2CA9NPC1
SCHEMBL23291290 0.83 CA1 (0.55) CA12CA1CA2CA9NPC1
SCHEMBL750357 0.83 EPHX2 (0.58) CA12CA1CA2CA9NPC1
SCHEMBL24386011 0.82 CA12 (0.60) CA12CA1CA2CA9NPC1
SCHEMBL9430856 0.81 DGAT1 (0.47) NPC1RAB9APOLBEGFRDGAT1
SCHEMBL13459410 0.81 NPC1 (0.76) CA12CA1CA2CA9NPC1
SCHEMBL4688447 0.80 DGAT1 (0.52) CA12CA1CA2CA9NPC1

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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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 (1 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 CA12 4786/4885CA1 4792/4885CA2 3649/4885

“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.