SCHEMBL5872780

SCHEMBL5872780

Cc1cc(I)ccc1Nc1c(C(=O)Nc2ccc(Cl)nc2)cc(C(=O)O)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 12/20 0.46
KCNQ2 O43526 12/20 0.46
KCNE1 P15382 6/20 0.46
KCNQ1 P51787 6/20 0.46
MAP2K1 Q02750 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BACE1 P56817 1/20 0.42
IDO1 P14902 1/20 0.41
MAP2K2 P36507 1/20 0.41
F10 P00742 1/20 0.41
SORT1 Q99523 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39

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
SCHEMBL5872778 0.96 KCNQ3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1MAP2K1
SCHEMBL5873059 0.84 SORT1 (0.47) MAP2K1MEN1KMT2ATDP1IDO1
SCHEMBL5872850 0.81 MAP2K1 (0.56) MAP2K1MEN1KMT2ATDP1IDO1
SCHEMBL5872916 0.80 NPC1 (0.49) MEN1KMT2ATDP1IDO1
SCHEMBL5873057 0.80 SORT1 (0.47) MAP2K1MEN1KMT2ATDP1IDO1
SCHEMBL5873051 0.80 KMT2A (0.47) MAP2K1MEN1KMT2ATDP1IDO1
SCHEMBL5872861 0.80 MEN1 (0.53) MAP2K1MEN1KMT2ATDP1IDO1
SCHEMBL5873019 0.78 MAPT (0.47) MEN1KMT2ATDP1
SCHEMBL5872912 0.77 NPC1 (0.49) MEN1KMT2ATDP1IDO1
SCHEMBL5873050 0.77 AURKA (0.45) MAP2K1MEN1KMT2ATDP1IDO1

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 KCNQ3 3233/4885KCNQ2 2538/4885KCNE1 1465/4885

“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.