SCHEMBL15123737

SCHEMBL15123737

COc1cc(OC)c(C=C[S+]([O-])Cc2cnc(OC)c([N+](=O)[O-])c2)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
NTSR1 P30989 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CYP19A1 P11511 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL15123732 1.00 ABCG2 (0.34) ABCG2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3236976 0.83 SMN1; SMN2 (0.46) ALDH1A1KMT2AHTTPKMMEN1
SCHEMBL3236984 0.83 SMN1; SMN2 (0.46) ALDH1A1KMT2AHTTPKMMEN1
SCHEMBL15123922 0.80 PLK1 (0.46) ABCG2ALDH1A1MAPTRAB9APKM
SCHEMBL15123920 0.80 PLK1 (0.46) ABCG2ALDH1A1MAPTRAB9APKM
SCHEMBL3238448 0.78 ALDH1A1 (0.46) ABCG2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3238427 0.78 ALDH1A1 (0.46) ABCG2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3230021 0.73 CYP1A1 (0.48) ABCG2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3240679 0.73 ABCG2 (0.44) ABCG2KMT2AMEN1TUBB4ATUBB
SCHEMBL3240659 0.73 ABCG2 (0.44) ABCG2KMT2AMEN1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582675-B1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS CHANGZHOU LE SUN PHARMACEUTICALS LTD (CN) 2016-06-08 EP disclosed
US-8829003-B2 Compounds for treating proliferative disorders CHANGZHOU LE SUN PHARMACEUTICALS LIMITED (CN) 2014-09-09 US disclosed
US-20130190325-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS ITEK VENTURES PTY LTD (AU) 2013-07-25 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-20130190325-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS JAK3, CDK3, PHKA1 ABCG2 829/4885ALDH1A1 4420/4885MAPT 4628/4885

“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.