SCHEMBL5380448

SCHEMBL5380448

FC(F)(F)c1cccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)c1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.82
MINK1 Q8N4C8 1/20 0.82
MAOB P27338 1/20 0.35
FFAR1 O14842 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL5380444 1.00 ERBB2 (0.82) ERBB2MINK1MAOBFFAR1CHRNB2
Mubritinib SCHEMBL571874 0.90 ERBB2 (1.00) ERBB2MINK1
Mubritinib SCHEMBL94943 0.90 ERBB2 (1.00) ERBB2MINK1
Mubritinib SCHEMBL6758911 0.90 ERBB2 (0.98) ERBB2MINK1
Mubritinib SCHEMBL6758913 0.90 ERBB2 (0.98) ERBB2MINK1
SCHEMBL26316653 0.88 ERBB2 (0.70) ERBB2MINK1MAOBFFAR1
SCHEMBL6579812 0.88 ERBB2 (0.95) ERBB2MINK1
SCHEMBL6579814 0.88 ERBB2 (0.95) ERBB2MINK1
SCHEMBL5759422 0.88 ERBB2 (0.80) ERBB2MINK1FFAR1
SCHEMBL5759417 0.88 ERBB2 (0.80) ERBB2MINK1FFAR1

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
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN disclosed
CN-111886234-A Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2020-11-03 CN disclosed
US-7247649-B2 Oxazoles, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-07-24 US 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 (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-20050038091-A1 Novel oxazoles, their manufacture and use as pharmaceutical agents OXA1L, CYP11B2, RORB ERBB2 944/4885MINK1 1364/4885MAOB 1086/4885

“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.