SCHEMBL3488474

SCHEMBL3488474

CC(=O)c1cc2c[c]ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 4/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 2/20 0.56
GLA P06280 1/20 0.56
CASP1 P29466 1/20 0.56
BRCA1 P38398 1/20 0.56
CASP7 P55210 1/20 0.56
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
FLT3 P36888 4/20 0.41
RECQL P46063 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
SCHEMBL5247311 0.86 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL7038519 0.84 FLT3 (0.42) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL3483330 0.84 PIM1 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL6334976 0.82 NPC1 (0.48) ALDH1A1LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL3488346 0.82 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL3488327 0.79 MAPT (0.39) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL6869618 0.79 AKR1B1 (0.48) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL241548 0.74 FLT3 (0.71) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL27690690 0.72 FLT3 (0.62) ALDH1A1LMNAKDM4ESMN1; SMN2GAA
SCHEMBL767149 0.72 DYRK1A (0.41) LMNAKDM4ESMN1; SMN2GAAHSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
EP-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP claimed
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO claimed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-7432288-B2 Pyrrole-2,5-dione derivatives as Liver X receptor modulators ASTRAZENECA AB (SE) 2008-10-07 US disclosed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 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
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 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 (4 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 ALDH1A1 1872/4885LMNA 3519/4885KDM4E 4430/4885
US-20040010031-A1 Novel method and compounds GSK3A, GSK3B, GSKIP ALDH1A1 2191/4885LMNA 1013/4885KDM4E 2477/4885
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 ALDH1A1 3161/4885LMNA 2498/4885KDM4E 3260/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 1892/4885LMNA 3647/4885KDM4E 4498/4885

“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.