SCHEMBL4730262

SCHEMBL4730262

O=[N+]([O-])c1ccc(Nc2cccc(O)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PAX8 Q06710 1/20 0.44
TLR9 Q9NR96 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GSK3B P49841 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
NTSR1 P30989 1/20 0.42
SYK P43405 4/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
SRC P12931 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
SCHEMBL4474721 0.83 KMT2A (0.58) ABCG2MEN1KMT2AMAPTHTT
SCHEMBL20455528 0.82 L3MBTL1 (0.58) TSHRCYP3A4MEN1KMT2AMAPT
SCHEMBL11482551 0.77 HPGD (0.66) TSHRCYP3A4ABCG2MEN1KMT2A
SCHEMBL18356526 0.75 HSD17B1 (0.57) TSHRCYP3A4MEN1KMT2AMAPT
SCHEMBL14149170 0.74 CYP3A4 (0.55) TSHRCYP3A4MEN1KMT2AHDAC6
SCHEMBL25826194 0.74 MAPT (0.48) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL17508290 0.72 GSK3B (0.49) TSHRCYP3A4MEN1KMT2APAX8
SCHEMBL1318876 0.72 HTT (0.56) ABCG2MEN1KMT2APAX8TLR9
SCHEMBL1920769 0.72 CYP3A4 (0.86) TSHRCYP3A4MEN1KMT2AHDAC6
SCHEMBL30026816 0.72 CYP3A4 (0.86) TSHRCYP3A4MEN1KMT2AHDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 WO disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 WO 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 TSHR 3891/4885CYP3A4 4445/4885ABCG2 1923/4885

“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.