SCHEMBL5383443

SCHEMBL5383443

Fc1cc(C(F)(F)F)ccc1/C=C/c1nc(COc2ccc(CCCCn3ccnn3)cc2)co1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.79
MINK1 Q8N4C8 1/20 0.79
HMOX1 P09601 1/20 0.35
RXRA P19793 2/20 0.32
NR1H2 P55055 2/20 0.32
MAOB P27338 2/20 0.32
NR1H3 Q13133 1/20 0.32
MAPT P10636 1/20 0.31
NOS1 P29475 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL5383448 1.00 ERBB2 (0.79) ERBB2MINK1HMOX1RXRANR1H2
SCHEMBL28469047 0.98 ERBB2 (0.75) ERBB2MINK1HMOX1RXRANR1H2
SCHEMBL22398126 0.98 ERBB2 (0.75) ERBB2MINK1HMOX1RXRANR1H2
SCHEMBL22398129 0.92 ERBB2 (0.66) ERBB2MINK1NOS1
SCHEMBL22398356 0.91 ERBB2 (0.65) ERBB2MINK1
SCHEMBL28469726 0.91 ERBB2 (0.65) ERBB2MINK1
SCHEMBL5522034 0.91 ERBB2 (0.69) ERBB2MINK1MAPTFFAR1
SCHEMBL5522038 0.91 ERBB2 (0.69) ERBB2MINK1MAPTFFAR1
SCHEMBL31130626 0.91 ERBB2 (0.69) ERBB2MINK1MAPTFFAR1
SCHEMBL6582276 0.91 ERBB2 (0.68) ERBB2MINK1MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247649-B2 Oxazoles, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US claimed
CN-1835947-A Novel oxazoles, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-09-20 CN claimed
EP-1656371-A2 NOVEL OXAZOLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
WO-2005016921-A2 NOVEL OXAZOLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO claimed
US-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 US claimed
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN disclosed
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-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
CN-111886234-A Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2020-11-03 CN disclosed
EP-3704111-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2020-09-09 EP disclosed
US-7247649-B2 Oxazoles, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US disclosed
CN-1835947-A Novel oxazoles, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-09-20 CN disclosed
EP-1656371-A2 NOVEL OXAZOLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2005016921-A2 NOVEL OXAZOLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
US-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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 (4 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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 ERBB2 2558/4885MINK1 1781/4885HMOX1 1334/4885
US-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents OXA1L, CYP11B2, RORB ERBB2 944/4885MINK1 1364/4885HMOX1 327/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885HMOX1 1433/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885HMOX1 1433/4885

“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.