SCHEMBL5872916

SCHEMBL5872916

Cc1cc(I)ccc1Nc1c(C(=O)Nc2ccc3cn[nH]c3c2)cc(C(=O)O)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 3/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
MAP4K4 O95819 3/20 0.42
CLK2 P49760 3/20 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
SCHEMBL5872912 0.97 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL5872780 0.80 KCNQ3 (0.46) MEN1KMT2ATDP1IDO1
SCHEMBL5873059 0.79 SORT1 (0.47) NPC1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5872850 0.78 MAP2K1 (0.56) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL5873051 0.78 KMT2A (0.47) ALDH1A1MEN1KMT2ATDP1KDR
SCHEMBL5872861 0.77 MEN1 (0.53) SMN1; SMN2MAPK1MEN1KMT2ATDP1
SCHEMBL5872778 0.77 KCNQ3 (0.46) MEN1KMT2ATDP1IDO1
SCHEMBL5873057 0.76 SORT1 (0.47) NPC1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5873019 0.75 MAPT (0.47) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL5872894 0.74 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDLMNA

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.