SCHEMBL717762

SCHEMBL717762

CCOC/C=C/c1ccc(-c2nc(-c3ccc(N(CC)CC)cc3)c(-c3ccc(NC)cc3)[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.68
▸ NOX1 Q9Y5S8 2/20 0.39
▸ PTPN1 P18031 1/20 0.37
▸ ALOX5 P09917 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SELP P16109 2/20 0.33
▸ SELE P16581 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MAPK13 O15264 2/20 0.32
▸ MAPK12 P53778 2/20 0.32
▸ MAPK11 Q15759 2/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ BRAF P15056 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ GCGR P47871 2/20 0.32

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
SCHEMBL4442601 0.93 ABCB1 (0.68) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL3828912 0.91 ABCB1 (0.69) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL13679699 0.86 ABCB1 (0.92) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL3830858 0.86 ABCB1 (0.92) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL6625154 0.84 ABCB1 (0.69) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL16448288 0.83 ABCB1 (0.68) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL718305 0.83 ABCB1 (0.68) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL13679647 0.82 ABCB1 (0.53) ABCB1NOX1MAPT
SCHEMBL719051 0.81 ABCB1 (0.74) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL3826448 0.81 ABCB1 (1.00) ABCB1NOX1PTPN1ALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221847-B1 METHODS OF ENHANCING CHEMOTHERAPY TAIJI BIOMEDICAL INC (US) 2009-03-25 — — EP claimed
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TAIJI BIOMEDICAL, INC. (US) 2007-08-30 — — US claimed
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TAIJI BIOMEDICAL, INC. 2002-10-10 — — US claimed
US-20150202185-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS TAIJI BIOMEDICAL, INC. 2015-07-23 — — US disclosed
US-9023845-B2 Compositions and methods for treating lysosomal disorders NEURALTUS PHARMACEUTICALS, INC. (US) 2015-05-05 — — US disclosed
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION NEURALTUS PHARMACEUTICALS, INC. 2015-02-12 — — US disclosed
US-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders THE HOSPITAL FOR SICK CHILDREN (CA) 2013-01-10 — — US disclosed
US-8252789-B2 Compositions and methods for treating lysosomal disorders NEURALTUS PHARMACEUTICALS, INC. (US) 2012-08-28 — — US disclosed
US-20120052053-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED ALPHA-SYNUCLEIN FUNCTION THE PARKINSON'S INSTITUTE 2012-03-01 — — US disclosed
EP-2361089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED -SYNUCLEIN FUNCTION Parkinson's Institute (US) 2011-08-31 — — EP disclosed
EP-2211856-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS The Hospital For Sick Children (CA) 2010-08-04 — — EP disclosed
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TAIJI BIOMEDICAL, INC. (US) 2007-08-30 — — US disclosed
EP-1221847-A4 METHODS OF ENHANCING CHEMOTHERAPY TAIJI BIOMEDICAL INC (US) 2006-03-22 — — EP disclosed
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 — — EP disclosed
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TAIJI BIOMEDICAL, INC. 2002-10-10 — — US disclosed
EP-1221847-A1 METHODS OF ENHANCING CHEMOTHERAPY Ontogen Corporation (US) 2002-07-17 — — EP disclosed
WO-2001026467-A1 METHODS OF ENHANCING CHEMOTHERAPY ONTOGEN CORPORATION (US) 2001-04-19 — — WO disclosed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 — — EP disclosed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 — — WO disclosed
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 — — US 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 (6 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-20120052053-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED ALPHA-SYNUCLEIN FUNCTION SNCA, PARK7, NLN ABCB1 3788/4885NOX1 1373/4885PTPN1 2752/4885
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION SNCA, PARK7, NLN ABCB1 3602/4885NOX1 1268/4885PTPN1 2752/4885
US-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders GAA, GBA1, LIPA ABCB1 1406/4885NOX1 3537/4885PTPN1 4036/4885
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TUBB3, TUBB1, TUBB2A ABCB1 21/4885NOX1 3939/4885PTPN1 3797/4885
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TUBB3, TUBB1, TUBB2A ABCB1 14/4885NOX1 4001/4885PTPN1 3854/4885
US-20150202185-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS GAA, GBA1, LIPA ABCB1 1406/4885NOX1 3537/4885PTPN1 4036/4885

“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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