SCHEMBL5563571

SCHEMBL5563571

NC(=O)/C=C/c1cccc(OC(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOB P27338 3/20 0.44
▸ FOS P01100 1/20 0.43
▸ JUN P05412 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ APP P05067 1/20 0.43
▸ P4HB P07237 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42

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
SCHEMBL5563576 1.00 PIM1 (0.45) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL30507875 0.86 ALDH1A1 (0.60) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1052398 0.86 ALDH1A1 (0.60) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL29405976 0.86 ALDH1A1 (0.60) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1052400 0.86 ALDH1A1 (0.60) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5640399 0.86 PIM1 (0.48) PIM1PIM2ALDH1A1
SCHEMBL2660249 0.85 PIM1 (0.45) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5181108 0.85 GLA (0.50) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2660253 0.85 PIM1 (0.45) PIM1PIM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5181111 0.85 GLA (0.50) PIM1PIM2KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100345845-C Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-10-31 — — CN disclosed
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
CN-1780830-A Aniline derivatives, process for their preparation and their use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-05-31 — — CN 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 PIM1 1276/4885PIM2 843/4885KDM4E 3886/4885

“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.

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