SCHEMBL802338

SCHEMBL802338

CCOC(=O)c1ccc(NC(=O)CCN)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.72
TSHR P16473 2/20 0.68
MAPT P10636 5/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 6/20 0.64
MAPK1 P28482 1/20 0.64
NAMPT P43490 1/20 0.64
LMNA P02545 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 2/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 1/20 0.61
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60

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
Hydrochloric Acid SCHEMBL5194020 0.98 GAA (0.70) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL7141724 0.88 TSHR (0.72) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL9843022 0.88 GAA (0.76) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL27425392 0.86 TSHR (0.75) GAATSHRMAPTRAB9AALDH1A1
Hydrochloric Acid SCHEMBL29787366 0.86 TSHR (0.70) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL14544254 0.85 GAA (0.72) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL7813793 0.85 GAA (0.76) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL9671985 0.84 TSHR (0.77) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL7408275 0.84 GAA (0.62) GAATSHRMAPTRAB9AALDH1A1
SCHEMBL11384519 0.84 GAA (0.70) GAATSHRMAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294722-B1 METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES MERCK EPROVA AG (CH) 2007-08-01 EP claimed
US-8734818-B2 Methods for treating cognitive/attention deficit disorders using tetrahydroindolone analogues and derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-8734818-B2 Methods for treating cognitive/attention deficit disorders using tetrahydroindolone analogues and derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130225648-A1 Methods for Treating Cognitive/Attention Deficit Disorders Using Tetrahydroindolone Analogues and Derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225648-A1 Methods for Treating Cognitive/Attention Deficit Disorders Using Tetrahydroindolone Analogues and Derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377456-B2 Methods for treating cognitive/attention deficit disorders using tetrahydroindolone analogues and derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377456-B2 Methods for treating cognitive/attention deficit disorders using tetrahydroindolone analogues and derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120070385-A1 Methods for Treating Cognitive/Attention Deficit Disorders Using Tetrahydroindolone Analogues and Derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-20120070385-A1 Methods for Treating Cognitive/Attention Deficit Disorders Using Tetrahydroindolone Analogues and Derivatives SPECTRUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-8063233-B2 Methods for treating cognitive/attention deficit disorders using tetrahydroindolone analogues and derivatives SPECTRUM PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20050014943-A1 Methods of synthesis for 9-substituted hypoxanthine derivatives NEOTHERAPEUTICS, INC. 2005-01-20 US disclosed
US-20040116453-A1 Synthesis and methods of use pyrimidine analogues and derivatives SPECTRUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
EP-1294722-A2 METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES Neotherapeutics, Inc. (US) 2003-03-26 EP disclosed
US-20030055249-A1 Synthesis and methods of use of pyrimidine analogues and derivatives NEOTHERAPEUTICS, INC. 2003-03-20 US disclosed
WO-2003007963-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES NEOTHERAPEUTICS, INC. (US) 2003-01-30 WO disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
WO-2002000659-A2 METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2002-01-03 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-20130225648-A1 Methods for Treating Cognitive/Attention Deficit Disorders Using Tetrahydroindolone Analogues and Derivatives DRD2, DRD4, DRD1 GAA 560/4885TSHR 3045/4885MAPT 138/4885
US-20120070385-A1 Methods for Treating Cognitive/Attention Deficit Disorders Using Tetrahydroindolone Analogues and Derivatives HTR2C, HSD11B2, DRD4 GAA 1517/4885TSHR 3048/4885MAPT 157/4885
US-20030055249-A1 Synthesis and methods of use of pyrimidine analogues and derivatives ATIC, SLC29A1, ABCG2 GAA 2435/4885TSHR 1985/4885MAPT 2567/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP GAA 130/4885TSHR 2814/4885MAPT 2428/4885

“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.