SCHEMBL5872894

SCHEMBL5872894

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)Nc2ccc3c(c2)OCCO3)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.49
RAB9A P51151 15/20 0.49
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 6/20 0.47
HPGD P15428 3/20 0.47
PKM P14618 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TSHR P16473 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
SCHEMBL5873017 0.82 MAPT (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5872850 0.80 MAP2K1 (0.56) SMN1; SMN2MAPK1KMT2AMEN1TDP1
SCHEMBL5873050 0.80 AURKA (0.45) ALDH1A1KMT2AMEN1TDP1
SCHEMBL5872858 0.79 MAP2K1 (0.51) SMN1; SMN2MAPK1KMT2AMEN1TDP1
SCHEMBL5872778 0.79 KCNQ3 (0.46) KMT2AMEN1TDP1
SCHEMBL5873019 0.79 MAPT (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5872912 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5873057 0.78 SORT1 (0.47) NPC1TP53ALDH1A1HTTKMT2A
SCHEMBL24849049 0.78 MAP2K1 (0.56) SMN1; SMN2MAPK1KMT2AMEN1TDP1
SCHEMBL4853895 0.77 MEN1 (0.62) MAPK1KMT2AMEN1TDP1

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 NPC1 1169/4885RAB9A 3021/4885SMN1; SMN2 3308/4885

“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.