SCHEMBL750357

SCHEMBL750357

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
DGAT1 O75907 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
EGFR P00533 1/20 0.49
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1668544 0.86 NR1H4 (0.76) EPHX2NR1H4SMN1; SMN2NPC1RAB9A
SCHEMBL748866 0.85 NPC1 (0.52) DGAT1SMN1; SMN2EGFRCA12CA1
SCHEMBL21068676 0.85 CA12 (0.66) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL750350 0.84 NPC1 (0.60) SMN1; SMN2EGFRCA12CA1CA2
SCHEMBL2009205 0.84 SMN1; SMN2 (0.51) EPHX2NR1H4SMN1; SMN2CA12CA1
SCHEMBL7810195 0.84 CA12 (0.67) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL749687 0.84 HDAC1 (0.60) SMN1; SMN2NPC1RAB9APOLBCASP3
SCHEMBL5896700 0.83 DGAT1 (0.53) EPHX2NR1H4DGAT1SMN1; SMN2EGFR
SCHEMBL8253006 0.83 CA12 (0.54) DGAT1SMN1; SMN2EGFRCA12CA1
SCHEMBL752387 0.83 CA12 (0.54) DGAT1SMN1; SMN2EGFRCA12CA1

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-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
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO 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 EPHX2 917/4885NR1H4 1279/4885DGAT1 354/4885

“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.