SCHEMBL4680773

SCHEMBL4680773

N=C(NO)c1ccc(Br)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 4/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.34
ACLY P53396 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL4145427 0.82 SMN1; SMN2 (0.50) FLT1FLT4KDRALDH1A1KMT2A
SCHEMBL29616566 0.82 SMN1; SMN2 (0.50) FLT1FLT4KDRALDH1A1KMT2A
SCHEMBL3276332 0.80 HSD17B10 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL28582168 0.79 KMT2A (0.43) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20428633 0.79 ALDH1A1 (0.42) FLT1FLT4KDRALDH1A1KMT2A
SCHEMBL1949079 0.78 JAK2 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL26476222 0.78 C1S (0.44) FLT1FLT4KDRALDH1A1KMT2A
SCHEMBL2473977 0.76 FLT1 (0.41) FLT1FLT4KDRALDH1A1KMT2A
SCHEMBL31661821 0.76 DGAT1 (0.53) FLT1FLT4KDRALDH1A1KMT2A
SCHEMBL241516 0.76 DGAT1 (0.53) FLT1FLT4KDRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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

“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.