SCHEMBL4626706

SCHEMBL4626706

COC(=O)c1ccc(OC)c(NC(=N)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
PKM P14618 1/20 0.53
POLB P06746 3/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
BLM P54132 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.49
KCNMA1 Q12791 1/20 0.49

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
SCHEMBL2033537 0.88 MEN1 (0.74) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL8320922 0.85 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL2032563 0.83 GAA (0.64) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL1554111 0.83 HDAC1 (0.58) MEN1KMT2AMAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL1579963 0.82 HDAC1 (0.56) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4627658 0.82 SMN1; SMN2 (0.49) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL14614516 0.80 KMT2A (0.53) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL13425100 0.77 MAPT (0.58) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1554272 0.77 MAPT (0.54) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4031197 0.76 MAPT (0.49) MEN1KMT2AMAPTALDH1A1PKM

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
EP-1590333-A4 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS INC (KR) 2008-04-30 EP disclosed
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2006-04-13 US disclosed
EP-1590333-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF Crystalgenomics, Inc. (KR) 2005-11-02 EP disclosed
WO-2004065370-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS, INC. (KR) 2004-08-05 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-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof GSK3B, GSK3A, GYS2 MEN1 4192/4885KMT2A 2546/4885MAPT 551/4885

“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.