SCHEMBL5872769

SCHEMBL5872769

CCC(C)Oc1ccccc1N1CCN(C(=O)c2cc(C(=O)O)c(Nc3ccc(I)cc3C)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
MAP2K2 P36507 4/20 0.38
MAP2K1 Q02750 4/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 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
SCHEMBL5872972 0.89 MAPT (0.41) SLC6A9MEN1KMT2ATDP1MAPT
SCHEMBL5872922 0.86 MAPT (0.41) MEN1KMT2ATDP1MAPTMAP2K2
SCHEMBL5872773 0.81 NAAA (0.40) SLC6A9MEN1KMT2ATDP1MAPT
SCHEMBL5872904 0.81 MAP2K1 (0.42) MEN1KMT2ATDP1MAPTMAP2K2
SCHEMBL5872758 0.80 MAP2K1 (0.47) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5872799 0.79 MAP2K1 (0.49) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5872950 0.78 MAP2K1 (0.46) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5872805 0.78 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5872869 0.78 MAP2K2 (0.41) MEN1KMT2ATDP1MAPTMAP2K2
SCHEMBL5872899 0.78 NPSR1 (0.39) MEN1KMT2ATDP1MAPTMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed
US-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors BIWERSI CATHLIN (US) 2003-12-04 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-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors NRAS, MAPK6, MAPK12 SLC6A9 3710/4885MEN1 2841/4885KMT2A 636/4885

“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.