SCHEMBL718305

SCHEMBL718305

CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC)cc3)c(-c3ccc(N4CCCC4)cc3)[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.68
▸ SELP P16109 3/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ SIRT1 Q96EB6 2/20 0.38
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ACHE P22303 1/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.33
▸ ALOX5 P09917 3/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SLCO2B1 O94956 1/20 0.32
▸ ALDH1A1 P00352 1/20 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
SCHEMBL16448288 1.00 ABCB1 (0.68) ABCB1SELPSIRT2SIRT1IKBKE
SCHEMBL719429 0.94 ABCB1 (0.67) ABCB1SELPSIRT2SIRT1IKBKE
SCHEMBL719430 0.94 ABCB1 (0.67) ABCB1SELPSIRT2SIRT1IKBKE
SCHEMBL13679678 0.93 ABCB1 (0.63) ABCB1SELPSIRT2SIRT1TBK1
SCHEMBL3824112 0.88 ABCB1 (0.60) ABCB1SELPSIRT2SIRT1BRAF
SCHEMBL13679697 0.86 ABCB1 (0.62) ABCB1SELPSIRT2SIRT1TBK1
SCHEMBL3830858 0.85 ABCB1 (0.92) ABCB1SELPBRAFPTPN1MAPT
SCHEMBL13679699 0.85 ABCB1 (0.92) ABCB1SELPBRAFPTPN1MAPT
SCHEMBL4442576 0.84 ABCB1 (0.53) ABCB1SELPSIRT2SIRT1IKBKE
SCHEMBL4442578 0.84 ABCB1 (0.53) ABCB1SELPSIRT2SIRT1IKBKE

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-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 3788/4885SELP 2342/4885SIRT2 2173/4885
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION SNCA, PARK7, NLN ABCB1 3602/4885SELP 2292/4885SIRT2 2457/4885
US-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders GAA, GBA1, LIPA ABCB1 1406/4885SELP 4856/4885SIRT2 1076/4885
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TUBB3, TUBB1, TUBB2A ABCB1 21/4885SELP 410/4885SIRT2 1995/4885
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TUBB3, TUBB1, TUBB2A ABCB1 14/4885SELP 282/4885SIRT2 2508/4885
US-20150202185-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS GAA, GBA1, LIPA ABCB1 1406/4885SELP 4856/4885SIRT2 1076/4885

“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.

Send feedback