SCHEMBL3550495

SCHEMBL3550495

O=C(O)c1cccc(N2C(=O)CNC2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMO O15229 1/20 0.51
POLB P06746 3/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APEX1 P27695 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
Hydantoin SCHEMBL3557317 0.89 L3MBTL1 (0.49) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL11020613 0.82 CA12 (0.65) L3MBTL1ALDH1A1GAAKDM4EPOLB
SCHEMBL20053775 0.80 ALDH1A1 (0.66) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL16263047 0.78 KMT2A (0.55) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL1979214 0.77 MEN1 (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL11076904 0.77 KMT2A (0.61) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL5182226 0.76 FAAH (0.56) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL11842431 0.76 L3MBTL1 (0.64) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL3868423 0.76 AR (0.48) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3557319 0.76 MAPK1 (0.42) L3MBTL1KMT2AMEN1ALDH1A1GAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014180544-A1 HYDANTOINE DERIVATIVES AS CD38 INHIBITORS SANOFI (FR) 2014-11-13 WO disclosed
WO-2014180544-A1 HYDANTOINE DERIVATIVES AS CD38 INHIBITORS SANOFI (FR) 2014-11-13 WO disclosed
EP-2801573-A1 Hydantoine derivatives as CD38 inhibitors SANOFI (FR) 2014-11-12 EP disclosed
EP-2801573-A1 Hydantoine derivatives as CD38 inhibitors SANOFI (FR) 2014-11-12 EP disclosed
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1959951-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
WO-2007063012-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 L3MBTL1 1512/4885KMT2A 2644/4885MEN1 4651/4885

“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.