SCHEMBL4627658

SCHEMBL4627658

COC(=O)c1ccc(OC)c(NC(=N)c2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47

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
SCHEMBL1554111 0.88 HDAC1 (0.58) KDM4EALDH1A1HPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL1579963 0.86 HDAC1 (0.56) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL4626798 0.86 CYP1A2 (0.50) SMN1; SMN2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL4627827 0.84 PYGL (0.57) SMN1; SMN2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL4628276 0.84 TAS1R3 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4626706 0.82 MEN1 (0.58) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL13425100 0.81 MAPT (0.58) KDM4EALDH1A1CYP1A2MAPTKMT2A
SCHEMBL1554272 0.81 MAPT (0.54) KDM4EALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL2229624 0.79 MAPT (0.55) KDM4EALDH1A1CYP1A2MAPTKMT2A
SCHEMBL28649485 0.78 MAPT (0.57) KDM4EALDH1A1MAPTKMT2AMEN1

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 SMN1; SMN2 2993/4885KDM4E 1298/4885ALDH1A1 3930/4885

“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.