SCHEMBL4442576

SCHEMBL4442576

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.53
▸ SELP P16109 1/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ NOX1 Q9Y5S8 2/20 0.40
▸ BRAF P15056 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MAPK13 O15264 3/20 0.38
▸ MAPK12 P53778 3/20 0.38
▸ MAPK11 Q15759 3/20 0.38
▸ MAPK14 Q16539 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ ALOX5 P09917 2/20 0.37
▸ GCGR P47871 2/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ MEN1 O00255 2/20 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
SCHEMBL4442578 1.00 ABCB1 (0.53) ABCB1SELPPTPN1AURKANOX1
SCHEMBL719430 0.90 ABCB1 (0.67) ABCB1SELPPTPN1AURKANOX1
SCHEMBL719429 0.90 ABCB1 (0.67) ABCB1SELPPTPN1AURKANOX1
SCHEMBL718305 0.84 ABCB1 (0.68) ABCB1SELPPTPN1AURKANOX1
SCHEMBL16448288 0.84 ABCB1 (0.68) ABCB1SELPPTPN1AURKANOX1
SCHEMBL3824112 0.84 ABCB1 (0.60) ABCB1SELPPTPN1AURKANOX1
SCHEMBL13679697 0.82 ABCB1 (0.62) ABCB1SELPPTPN1NOX1BRAF
SCHEMBL6619832 0.80 NOX1 (0.60) ABCB1PTPN1AURKANOX1MAPT
SCHEMBL13679678 0.77 ABCB1 (0.63) ABCB1SELPPTPN1BRAFSIRT2
SCHEMBL13679672 0.77 ABCB1 (0.56) ABCB1SELPPTPN1AURKANOX1

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
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-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders THE HOSPITAL FOR SICK CHILDREN (CA) 2013-01-10 — — US disclosed
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

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-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders GAA, GBA1, LIPA ABCB1 1406/4885SELP 4856/4885PTPN1 4036/4885
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TUBB3, TUBB1, TUBB2A ABCB1 21/4885SELP 410/4885PTPN1 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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