SCHEMBL4442601

SCHEMBL4442601

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.68
▸ NOX1 Q9Y5S8 2/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ ALOX5 P09917 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK13 O15264 5/20 0.36
▸ MAPK12 P53778 5/20 0.36
▸ MAPK11 Q15759 5/20 0.36
▸ MAPK14 Q16539 5/20 0.36
▸ GCGR P47871 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL717762 0.93 ABCB1 (0.68) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL6625154 0.90 ABCB1 (0.69) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL13679647 0.88 ABCB1 (0.53) ABCB1NOX1MAPTMEN1KMT2A
SCHEMBL13679656 0.84 ABCB1 (0.70) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL3828912 0.84 ABCB1 (0.69) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL13679689 0.82 ABCB1 (0.73) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL6621640 0.81 ABCB1 (0.57) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL3826448 0.81 ABCB1 (1.00) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL719051 0.81 ABCB1 (0.74) ABCB1NOX1PTPN1ALOX5MAPT
SCHEMBL719050 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 8 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
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-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-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 21/4885NOX1 3939/4885PTPN1 3797/4885

“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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