SCHEMBL5683245

SCHEMBL5683245

NC1=C(c2ccccc2)C(=O)N(c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.47
PABPC1 P11940 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
RAD51 Q06609 1/20 0.45
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MGLL Q99685 3/20 0.42
MEN1 O00255 2/20 0.41
FAAH O00519 2/20 0.41
GAA P10253 2/20 0.41
ESR1 P03372 1/20 0.40

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
SCHEMBL5683186 0.88 ADORA2A (0.45) HSPA1APABPC1NR1H2NR1H3ALDH1A1
SCHEMBL14777408 0.86 NR1H2 (0.53) HSPA1APABPC1NR1H2NR1H3RAD51
SCHEMBL30286549 0.77 NR1H2 (0.50) HSPA1APABPC1NR1H2NR1H3RAD51
SCHEMBL30595508 0.77 MGLL (0.50) NR1H2NR1H3RAD51ALDH1A1NPSR1
SCHEMBL15437908 0.77 RAD51 (0.71) NR1H2NR1H3RAD51ALDH1A1NPSR1
SCHEMBL15437877 0.77 ESR1 (0.47) HSPA1APABPC1NR1H2NR1H3RAD51
SCHEMBL27575223 0.76 NR1H2 (0.45) HSPA1APABPC1NR1H2NR1H3RAD51
SCHEMBL5068959 0.74 MGLL (0.46) HSPA1APABPC1NR1H2NR1H3RAD51
SCHEMBL16280099 0.73 MGLL (0.62) HSPA1APABPC1ALDH1A1NPSR1KMT2A
SCHEMBL15437728 0.73 RAD51 (0.49) NR1H2NR1H3RAD51ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104093779-A Synthetic resin, and varnish, prepreg and laminate produced therefrom ISOLA USA CORP 2014-10-08 CN claimed
CN-104093779-A Synthetic resin, and varnish, prepreg and laminate produced therefrom ISOLA USA CORP 2014-10-08 CN disclosed
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 HSPA1A 3140/4885PABPC1 4863/4885NR1H2 74/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 HSPA1A 1361/4885PABPC1 4425/4885NR1H2 770/4885

“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.