SCHEMBL3830858

SCHEMBL3830858

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

nearest known ligand 0.92

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.92
▸ PTPN1 P18031 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.35
▸ MAPK13 O15264 4/20 0.35
▸ MAPK12 P53778 4/20 0.35
▸ MAPK11 Q15759 4/20 0.35
▸ MAPK14 Q16539 4/20 0.35
▸ GCGR P47871 3/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ SELP P16109 2/20 0.33
▸ SELE P16581 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ RAF1 P04049 2/20 0.33
▸ BRAF P15056 1/20 0.33

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
SCHEMBL13679699 1.00 ABCB1 (0.92) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL3826448 0.96 ABCB1 (1.00) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL719050 0.96 ABCB1 (1.00) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL13780563 0.91 ABCB1 (0.91) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL3829640 0.91 ABCB1 (0.91) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL13679665 0.91 ABCB1 (0.91) ABCB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13679717 0.91 ABCB1 (0.91) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL3824437 0.91 ABCB1 (0.91) ABCB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5468480 0.91 ABCB1 (0.89) ABCB1PTPN1MAPTNOX1MAPK11
SCHEMBL30357745 0.90 ABCB1 (0.87) ABCB1PTPN1MAPTNOX1MAPK13

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 15 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-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TAIJI BIOMEDICAL, INC. 2002-10-10 — — US claimed
EP-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 — — EP disclosed
EP-2082740-A2 Use of imidazole derivatives as MDR modulators Taiji Biomedical, Inc. (US) 2009-07-29 — — EP disclosed
EP-2064951-A1 Use of a substituted imidazole, derivatives or salts thereof for the preparation of a medicament for the treatment of a cell proliferative disorder Taiji Biomedical, Inc. (US) 2009-06-03 — — EP 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
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 (2 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-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TUBB3, TUBB1, TUBB2A ABCB1 21/4885PTPN1 3797/4885MAPT 26/4885
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TUBB3, TUBB1, TUBB2A ABCB1 14/4885PTPN1 3854/4885MAPT 39/4885

“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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