SCHEMBL5094069

SCHEMBL5094069

O=[N+]([O-])c1ccc(Cl)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
TSHR P16473 1/20 0.57
HSD11B1 P28845 1/20 0.47
S1PR4 O95977 1/20 0.46
NPBWR1 P48145 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.42
IDO1 P14902 1/20 0.42
APEX1 P27695 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL5557979 0.88 TSHR (0.54) MAPK1TSHRHSD11B1NPBWR1POLB
SCHEMBL31218988 0.77 TDP1 (0.54) MAPK1TSHRPOLBMAPTL3MBTL1
SCHEMBL28753512 0.77 MAPK1 (0.50) MAPK1TSHRHSD11B1NPBWR1POLB
SCHEMBL10771873 0.76 MAPK1 (0.53) MAPK1TSHRHSD11B1S1PR4NPBWR1
SCHEMBL4399102 0.75 GSK3B (0.67) MAPK1TSHRHSD11B1NPBWR1POLB
SCHEMBL19847049 0.74 MAPK1 (0.44) MAPK1TSHRS1PR4POLBLMNA
SCHEMBL29398960 0.74 TSHR (1.00) MAPK1TSHRS1PR4POLBLMNA
SCHEMBL487215 0.74 TSHR (1.00) MAPK1TSHRS1PR4POLBLMNA
SCHEMBL19847064 0.73 MAPT (0.44) MAPK1TSHRS1PR4POLBMAPT
SCHEMBL7026093 0.73 GSK3B (0.63) NPBWR1POLBLMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK1 418/4885TSHR 4164/4885HSD11B1 380/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK1 436/4885TSHR 4133/4885HSD11B1 349/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPK1 436/4885TSHR 4133/4885HSD11B1 349/4885

“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.