SCHEMBL5872817

SCHEMBL5872817

Cc1cc(I)ccc1Nc1c(C(=O)NCCc2ccccn2)cc(C(=O)O)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
IDO1 P14902 1/20 0.40
KCNA5 P22460 1/20 0.40
HPGD P15428 1/20 0.40
SORT1 Q99523 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
NPC1 O15118 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
SCHEMBL5872815 0.96 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ATDP1ALDH1A1
SCHEMBL5872774 0.85 MEN1 (0.43) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5872772 0.82 MEN1 (0.42) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5872850 0.78 MAP2K1 (0.56) SMN1; SMN2MEN1KMT2ATDP1MAP2K2
SCHEMBL5872902 0.78 MAP2K1 (0.49) MEN1KMT2ATDP1MAP2K2MAP2K1
SCHEMBL5872840 0.78 USP2 (0.50) SMN1; SMN2MEN1KMT2ATDP1ALDH1A1
SCHEMBL5872861 0.78 MEN1 (0.53) SMN1; SMN2MEN1KMT2ATDP1MAP2K2
SCHEMBL5872818 0.77 MEN1 (0.50) SMN1; SMN2MEN1KMT2ATDP1ALDH1A1
SCHEMBL12403932 0.76 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL6261773 0.76 HDAC3 (0.46) MEN1KMT2ATDP1ALDH1A1MAP2K2

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 SMN1; SMN2 3308/4885MEN1 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.