SCHEMBL5532797

SCHEMBL5532797

COc1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.80
MINK1 Q8N4C8 1/20 0.80
POLB P06746 1/20 0.34
ATP4A P20648 3/20 0.33
ATP4B P51164 3/20 0.33
CYP19A1 P11511 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL5532795 1.00 ERBB2 (0.80) ERBB2MINK1POLBATP4AATP4B
SCHEMBL3668068 0.93 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BCYP19A1
SCHEMBL3668064 0.93 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BCYP19A1
SCHEMBL22397926 0.92 ERBB2 (0.81) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL28480663 0.92 ERBB2 (0.81) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL22398091 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL22398052 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BCYP19A1
SCHEMBL22397904 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BCYP19A1
SCHEMBL22398093 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL6580527 0.91 ERBB2 (0.83) ERBB2MINK1ATP4AATP4BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205325-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US claimed
JP-2006515019-A 2006-05-18 JP claimed
EP-1613623-A1 NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-11 EP claimed
US-20040209933-A1 Oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 US claimed
WO-2004085434-A1 NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO claimed
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
EP-3704111-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2020-09-09 EP disclosed
US-7205325-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1613623-A1 NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-11 EP disclosed
US-20040209933-A1 Oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 US disclosed
WO-2004085434-A1 NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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-20040209933-A1 Oxazole derivatives OXA1L, SULT1E1, CYP3A7 ERBB2 1048/4885MINK1 1545/4885POLB 1425/4885

“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.