SCHEMBL4613192

SCHEMBL4613192

O=C(O)C=Cc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.59
PTGES O14684 1/20 0.55
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
NTSR1 P30989 1/20 0.52
RHOA P61586 2/20 0.50
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
PMP22 Q01453 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERN1 O75460 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL4613190 1.00 MIF (0.59) MIFPTGESALDH1A1MAPTLMNA
SCHEMBL6980510 0.88 PTGES (0.55) MIFPTGESALDH1A1MAPTLMNA
SCHEMBL6980511 0.88 PTGES (0.55) MIFPTGESALDH1A1MAPTLMNA
SCHEMBL6980515 0.88 PTGES (0.55) MIFPTGESALDH1A1MAPTLMNA
SCHEMBL30633008 0.86 ALDH1A1 (0.51) MIFPTGESALDH1A1MAPTLMNA
SCHEMBL22398056 0.86 ALDH1A1 (0.51) MIFPTGESALDH1A1MAPTLMNA
SCHEMBL989659 0.83 MAPT (0.64) PTGESALDH1A1MAPTRHOAHIF1A
SCHEMBL3602553 0.83 MAPT (0.64) PTGESALDH1A1MAPTRHOAHIF1A
SCHEMBL1174503 0.83 MAPT (0.64) PTGESALDH1A1MAPTRHOAHIF1A
SCHEMBL16619312 0.81 PTGES (0.52) MIFPTGESALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US disclosed
EP-3704111-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2020-09-09 EP disclosed
EP-1237872-B1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2008-02-27 EP disclosed
EP-1237872-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2005-06-15 EP disclosed
US-20050042274-A1 Compounds and compositions for delivering active agents MHR INSTITUTIONAL PARTNERS IIA LP 2005-02-24 US disclosed
US-6693208-B2 AMINO ACIDS WHICH DELIVER ACTIVE AGENTS TO SELECTED BIOLOGICAL SYSTEMS IN INCREASED OR IMPROVED BIOAVAILABILITY EMISPHERE TECHNOLOGIES, INC. 2004-02-17 US disclosed
US-20030216589-A1 Compounds and compositions for delivering active agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-11-20 US disclosed
EP-1237872-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2002-09-11 EP disclosed
WO-2001044199-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2001-06-21 WO disclosed
US-4333940-A Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development AMERICAN CYANAMID COMPANY (US) 1982-06-08 US disclosed
US-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP 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 (5 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-20030216589-A1 Compounds and compositions for delivering active agents IDUA, ALG1, APOB MIF 2277/4885PTGES 3816/4885ALDH1A1 3939/4885
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 MIF 2286/4885PTGES 4002/4885ALDH1A1 2036/4885
US-20050042274-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 MIF 636/4885PTGES 1660/4885ALDH1A1 2208/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 MIF 2317/4885PTGES 4141/4885ALDH1A1 2100/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 MIF 2317/4885PTGES 4141/4885ALDH1A1 2100/4885

“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.