SCHEMBL4744783

SCHEMBL4744783

O=Cc1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
THRB P10828 1/20 0.65
S1PR1 P21453 8/20 0.62
CASP3 P42574 3/20 0.56
S1PR3 Q99500 4/20 0.54
CHUK O15111 1/20 0.53
TXNRD1 Q16881 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HDAC4 P56524 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
SCHEMBL4741824 0.85 NPC1 (0.67) LMNATHRBS1PR1S1PR3NPC1
SCHEMBL5387968 0.81 S1PR1 (0.54) LMNATHRBS1PR1S1PR3NPC1
SCHEMBL3456771 0.80 NPC1 (0.66) LMNATHRBCASP3NPC1RAB9A
SCHEMBL35210436 0.80 ALDH5A1 (0.52) LMNAS1PR1NPC1RAB9ATP53
SCHEMBL29147406 0.80 LMNA (0.70) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL19030812 0.80 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8
SCHEMBL26093825 0.80 LMNA (0.70) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL4787889 0.80 S1PR1 (0.57) LMNATHRBS1PR1S1PR3NPC1
SCHEMBL5208706 0.79 LMNA (0.65) LMNATHRBS1PR1CASP3S1PR3
SCHEMBL5205641 0.79 LMNA (0.65) LMNATHRBS1PR1CASP3S1PR3

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 8 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-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US 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
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 EP 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 (2 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG LMNA 3786/4885THRB 129/4885S1PR1 1456/4885
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 LMNA 4831/4885THRB 1297/4885S1PR1 217/4885

“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.