SCHEMBL5872848

SCHEMBL5872848

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCCCC2CO)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAP2K1 Q02750 8/20 0.39
MAP2K2 P36507 6/20 0.39
LMNA P02545 2/20 0.38
IDO1 P14902 2/20 0.38
AURKA O14965 2/20 0.37
TNFRSF1A P19438 2/20 0.37
KDR P35968 1/20 0.37
MAP3K9 P80192 1/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PRKCB P05771 1/20 0.36
SRC P12931 1/20 0.36
STK3 Q13188 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL5872831 0.93 MEN1 (0.45) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872829 0.82 MEN1 (0.47) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872824 0.80 L3MBTL3 (0.48) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872791 0.80 MAP2K1 (0.48) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872821 0.80 MEN1 (0.49) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872784 0.79 MAP2K1 (0.50) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872850 0.78 MAP2K1 (0.56) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872786 0.78 MEN1 (0.45) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872765 0.78 MAP2K1 (0.52) TDP1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL5872766 0.78 MAP2K1 (0.52) TDP1MEN1KMT2AMAP2K1MAP2K2

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 TDP1 851/4885MEN1 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.