SCHEMBL5686012

SCHEMBL5686012

Cc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.69
NR1H3 Q13133 9/20 0.69
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5683190 0.92 NR1H2 (0.58) NR1H2NR1H3MAPTGAAHPGD
SCHEMBL5683275 0.91 NR1H2 (0.65) NR1H2NR1H3MAPTGAAHPGD
SCHEMBL29644730 0.84 F2 (0.52) NR1H2NR1H3GAATSHRNPC1
SCHEMBL5686013 0.75 MAPT (0.50) NR1H2NR1H3MAPTGAAHPGD
SCHEMBL9836388 0.74 F2 (0.48) MAPTGAAHPGDKDM4ENPC1
SCHEMBL5686066 0.72 NR1H2 (0.56) NR1H2NR1H3MAPTHPGDNPC1
SCHEMBL14777408 0.71 NR1H2 (0.53) NR1H2NR1H3GAAHSP90AA1MEN1
SCHEMBL5683186 0.71 ADORA2A (0.45) NR1H2NR1H3MAPTHPGDKDM4E
SCHEMBL30286549 0.71 NR1H2 (0.50) NR1H2NR1H3MAPTGAAHPGD
SCHEMBL2132967 0.71 KMT2A (0.68) NR1H3GAATSHRHSP90AA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010031-A1 Novel method and compounds SMITHKLINE BEECHAM P.L.C. 2004-01-15 US claimed
EP-1119548-A1 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP claimed
WO-2000021927-A2 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO claimed
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby WYETH 2006-11-09 US disclosed
WO-2005028678-A9 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH CORP (US) 2006-08-31 WO disclosed
EP-1636388-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY Wyeth (US) 2006-03-22 EP disclosed
WO-2005028678-A2 METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY WYETH (US) 2005-03-31 WO disclosed
US-6719520-B2 FOR INHIBITION OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3); TREATMENT AND PROPHYLAXIS FOR DIABETES, CHRONIC NEURODEGENERATIVE CONDITIONS, MOOD DISORDERS SUCH AS SCHIZOPHRENIA AND MANIC DEPRESSION AND HAIR LOSS AND CANCER SMITHKLINE BEECHAM CORPORATION 2004-04-13 US disclosed
US-20040010031-A1 Novel method and compounds SMITHKLINE BEECHAM P.L.C. 2004-01-15 US disclosed
EP-1119548-A1 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP disclosed
WO-2000021927-A2 PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 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 (2 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-20040010031-A1 Novel method and compounds GSK3A, GSK3B, GSKIP NR1H2 74/4885NR1H3 48/4885MAPT 72/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 NR1H2 770/4885NR1H3 762/4885MAPT 4705/4885

“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.