SCHEMBL5686013

SCHEMBL5686013

Cc1ccc(C2=C(NCc3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
HTT P42858 3/20 0.45
CASP3 P42574 2/20 0.43
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
RGS4 P49798 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL5683275 0.81 NR1H2 (0.65) MAPTNR1H2NR1H3HTTHPGD
SCHEMBL5686012 0.75 NR1H2 (0.69) MAPTNR1H2NR1H3HTTNPSR1
SCHEMBL29644730 0.73 F2 (0.52) CYP2C9NR1H2NR1H3HTTALDH1A1
SCHEMBL5683190 0.73 NR1H2 (0.58) MAPTNR1H2NR1H3CASP3HPGD
SCHEMBL5683186 0.73 ADORA2A (0.45) MAPTCYP1A2CYP2C9L3MBTL1NR1H2
SCHEMBL14777408 0.67 NR1H2 (0.53) NR1H2NR1H3HTTNPSR1ALDH1A1
SCHEMBL30286549 0.67 NR1H2 (0.50) MAPTTDP1L3MBTL1NR1H2NR1H3
SCHEMBL28486760 0.67 NR1H2 (0.45) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5686036 0.65 MAPT (0.60) MAPTTDP1L3MBTL1HPGDALDH1A1
SCHEMBL27987085 0.65 ALDH1A1 (0.58) MAPTCYP1A2L3MBTL1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 72/4885CYP1A2 1170/4885CYP2D6 975/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 MAPT 4705/4885CYP1A2 4725/4885CYP2D6 4780/4885

“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.