SCHEMBL5682657

SCHEMBL5682657

O=C1C(c2ccccc2)=C(N2CCCCC2)C(=O)N1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 8/20 0.66
▸ MAPT P10636 8/20 0.66
▸ ALDH1A1 P00352 6/20 0.66
▸ ALOX15 P16050 4/20 0.66
▸ HSD17B10 Q99714 4/20 0.66
▸ MAPK1 P28482 4/20 0.66
▸ HPGD P15428 3/20 0.66
▸ TSHR P16473 3/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ POLB P06746 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ RAD51 Q06609 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CASP1 P29466 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ BCL2A1 Q16548 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
SCHEMBL17208335 0.84 RAD51 (0.64) L3MBTL1MAPTALDH1A1ALOX15HSD17B10
SCHEMBL17208334 0.79 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1ALOX15HSD17B10
SCHEMBL14777408 0.77 NR1H2 (0.53) ALDH1A1MEN1KMT2ARAD51NPSR1
SCHEMBL5686036 0.76 MAPT (0.60) L3MBTL1MAPTALDH1A1ALOX15HSD17B10
SCHEMBL30286549 0.76 NR1H2 (0.50) L3MBTL1MAPTALDH1A1ALOX15HSD17B10
SCHEMBL27575223 0.76 NR1H2 (0.45) ALDH1A1MEN1KMT2ARAD51NPSR1
SCHEMBL5682593 0.72 MAPT (0.47) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL5683249 0.71 MAPT (0.46) L3MBTL1MAPTALDH1A1ALOX15HSD17B10
SCHEMBL15758183 0.71 RAD51 (0.74) MAPTALDH1A1ALOX15HSD17B10MAPK1
SCHEMBL29006938 0.71 ALDH1A1 (0.40) L3MBTL1MAPTALDH1A1ALOX15HSD17B10

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 9 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
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 L3MBTL1 1709/4885MAPT 72/4885ALDH1A1 2191/4885
US-20060252045-A1 Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby BMP4, BMP2, BMP6 L3MBTL1 4660/4885MAPT 4705/4885ALDH1A1 3487/4885

“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.

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