SCHEMBL5872807

SCHEMBL5872807

Cc1cc(I)ccc1Nc1c(C(=O)NCCN2CCOCC2)cc(C(=O)O)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
BCL3 P20749 4/20 0.47
POLB P06746 1/20 0.46
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5872804 0.96 BCL3 (0.47) MEN1KMT2ATDP1BCL3POLB
SCHEMBL5872857 0.91 BCL3 (0.48) MEN1KMT2ATDP1BCL3POLB
SCHEMBL6035427 0.90 MEN1 (0.48) MEN1KMT2ATDP1BCL3POLB
SCHEMBL6035215 0.88 MAP2K2 (0.56) MEN1KMT2ATDP1BCL3POLB
SCHEMBL7854395 0.83 TSHR (0.46) MEN1KMT2ATDP1BCL3POLB
SCHEMBL6035719 0.83 BCL3 (0.55) MEN1KMT2ABCL3POLBALDH1A1
SCHEMBL6035287 0.82 BCL3 (0.59) KMT2ABCL3POLBLMNA
SCHEMBL6036026 0.81 MEN1 (0.48) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5872928 0.81 MEN1 (0.49) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5873019 0.81 MAPT (0.47) MEN1KMT2ATDP1ALDH1A1CYP1A2

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 MEN1 2841/4885KMT2A 636/4885TDP1 851/4885

“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.