SCHEMBL5873017

SCHEMBL5873017

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
BRD4 O60885 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.42
HCRTR1 O43613 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5873019 0.96 MAPT (0.47) MAPTBRD4CYP1A2CYP3A4CYP2D6
SCHEMBL5873116 0.82 MAP2K1 (0.48) MEN1KMT2ATDP1MAPK1RAB9A
SCHEMBL5872894 0.82 NPC1 (0.49) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL5872804 0.81 BCL3 (0.47) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL5873050 0.80 AURKA (0.45) MEN1KMT2ATDP1ALDH1A1
SCHEMBL5872857 0.79 BCL3 (0.48) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL5872850 0.78 MAP2K1 (0.56) MEN1KMT2ATDP1MAPK1SMN1; SMN2
SCHEMBL5872858 0.78 MAP2K1 (0.51) MEN1KMT2ATDP1MAPK1SMN1; SMN2
SCHEMBL5872778 0.78 KCNQ3 (0.46) MEN1KMT2ATDP1
SCHEMBL5872807 0.77 MEN1 (0.48) CYP1A2CYP3A4CYP2D6MEN1KMT2A

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 MAPT 4808/4885BRD4 441/4885CYP1A2 1309/4885

“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.