SCHEMBL5558712

SCHEMBL5558712

O=C(O)c1coc(/C=C/c2ccc(OC(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALOX15 P16050 2/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 7/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPSE Q9Y251 1/20 0.36
GRM2 Q14416 1/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
TEAD4 Q15561 1/20 0.35
PTGER4 P35408 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5558717 1.00 DRD1 (0.39) DRD1PPARGPPARAALOX15GFER
SCHEMBL5557711 0.82 PIM1 (0.41) NPC1RAB9AMEN1KMT2APTGER4
SCHEMBL5557716 0.82 PIM1 (0.41) NPC1RAB9AMEN1KMT2APTGER4
SCHEMBL2227083 0.79 ELANE (0.43) ALOX15GFERNPC1ALDH1A1LMNA
SCHEMBL2227080 0.79 ELANE (0.43) ALOX15GFERNPC1ALDH1A1LMNA
SCHEMBL5558910 0.77 ERBB2 (0.53) ADAM17
SCHEMBL5558914 0.77 ERBB2 (0.53) ADAM17
SCHEMBL28475472 0.76 JUN (0.43) ALOX15NPC1RAB9AMEN1KMT2A
SCHEMBL4606801 0.75 ERBB2 (0.44) DRD1
SCHEMBL4606803 0.75 ERBB2 (0.44) DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP claimed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US claimed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP claimed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US claimed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO claimed
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 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-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 DRD1 2165/4885PPARG 2153/4885PPARA 3451/4885

“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.