SCHEMBL4856493

SCHEMBL4856493

COC(=O)COc1ccc(N)cc1I

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.43
APP P05067 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
PTGDR Q13258 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HMGCR P04035 1/20 0.40

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
Hydrochloric Acid SCHEMBL8474144 0.84 ALDH1A1 (0.51) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL13623313 0.84 MAPK1 (0.40) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL1106922 0.83 MAPT (0.50) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL959829 0.83 HTT (0.52) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL12144018 0.83 GAA (0.58) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL27613064 0.83 GAA (0.50) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL1028925 0.82 PTGDR2 (0.60) MEN1KMT2AMAPTPTGDR2POLB
SCHEMBL4859783 0.80 LMNA (0.46) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL16788118 0.79 GAA (0.51) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL24589197 0.78 APP (0.46) LMNAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG LMNA 1382/4885MEN1 4569/4885KMT2A 3776/4885

“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.