SCHEMBL2473977

SCHEMBL2473977

Cc1cc(Br)ccc1C(=N)NO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SORT1 Q99523 4/20 0.37
GPR27 Q9NS67 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DHODH Q02127 1/20 0.36
F2 P00734 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL4884083 0.82 TP53 (0.41) FLT1FLT4KDRNPC1RAB9A
SCHEMBL2692308 0.79 FLT1 (0.40) FLT1FLT4KDRNPC1RAB9A
SCHEMBL4586875 0.78 FLT1 (0.44) FLT1FLT4KDRNPC1RAB9A
SCHEMBL3951347 0.78 PRSS1 (0.45) FLT1FLT4KDRNPC1SIGMAR1
SCHEMBL241516 0.76 DGAT1 (0.53) FLT1FLT4KDRNPC1RAB9A
SCHEMBL4680773 0.76 FLT1 (0.43) FLT1FLT4KDRNPC1RAB9A
SCHEMBL31661821 0.76 DGAT1 (0.53) FLT1FLT4KDRNPC1RAB9A
SCHEMBL27007635 0.76 NPC1 (0.62) FLT1FLT4KDRNPC1RAB9A
SCHEMBL536636 0.76 PRSS1 (0.37) NPC1RAB9AF2
SCHEMBL18205229 0.76 MYC (0.45) NPC1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 EP disclosed
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 US disclosed
EP-3953360-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2022-02-16 EP disclosed
CN-113767105-A Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
WO-2020207941-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-1549640-A4 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2008-08-06 EP disclosed
US-7199142-B2 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. (US) 2007-04-03 US disclosed
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. 2005-11-03 US disclosed
EP-1549640-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2004035538-A1 PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID MERCK & CO., INC. (US) 2004-04-29 WO disclosed
WO-2003105771-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-12-24 WO 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 (3 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 FLT1 195/4885FLT4 178/4885KDR 107/4885
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists EDNRA, OXGR1, EDNRB FLT1 94/4885FLT4 285/4885KDR 717/4885
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP FLT1 4050/4885FLT4 4470/4885KDR 4714/4885

“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.