SCHEMBL719430

SCHEMBL719430

CCOCC=Cc1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)c(-c3ccc(N4CCCC4)cc3)[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.67
▸ SELP P16109 1/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ PTPN1 P18031 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ SLCO2B1 O94956 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35

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
SCHEMBL719429 1.00 ABCB1 (0.67) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL718305 0.94 ABCB1 (0.68) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL16448288 0.94 ABCB1 (0.68) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL3824112 0.94 ABCB1 (0.60) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL13679697 0.92 ABCB1 (0.62) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL4442578 0.90 ABCB1 (0.53) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL4442576 0.90 ABCB1 (0.53) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL13679678 0.86 ABCB1 (0.63) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL13679672 0.86 ABCB1 (0.56) ABCB1SELPSIRT2SIRT1PTPN1
SCHEMBL13679656 0.82 ABCB1 (0.70) ABCB1PTPN1BRAFMAPTNOX1

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 11 patents. 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-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
US-20090163500-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS THE HOSPITAL FOR SICK CHILDREN (CA) 2009-06-25 — — US disclosed
EP-1221847-B1 METHODS OF ENHANCING CHEMOTHERAPY TAIJI BIOMEDICAL INC (US) 2009-03-25 — — EP disclosed
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TAIJI BIOMEDICAL, INC. (US) 2007-08-30 — — 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 (5 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-20090163500-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS GAA, GBA1, LIPA ABCB1 1406/4885SELP 4856/4885SIRT2 1076/4885
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

“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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