SCHEMBL5310372

SCHEMBL5310372

Cc1ccc(Oc2cc(-c3ccc(C4=NCCN4)cc3)oc2-c2ccc(C3=NCCN3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 7/20 0.56
▸ TOP2A P11388 6/20 0.53
▸ TOP2B Q02880 6/20 0.53
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PTGIR P43119 1/20 0.43

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
SCHEMBL549234 0.83 TOP2A (0.57) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL8536014 0.81 NISCH (0.58) NISCHTOP2ATOP2BMAOAMAOB
SCHEMBL7734244 0.76 MAOB (0.47) ALDH1A1MAOAMAOB
SCHEMBL6465427 0.75 NISCH (0.55) NISCHALDH1A1CYP1A2MAOB
SCHEMBL7732923 0.75 AR (0.51) ALDH1A1CASP1CASP7MAOB
SCHEMBL1886692 0.75 NISCH (1.00) NISCHTOP2ATOP2BMAOAMAOB
SCHEMBL14089880 0.73 NISCH (0.79) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL549282 0.72 TOP2A (1.00) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL8211455 0.70 NISCH (0.65) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL7735081 0.70 PTGS1 (0.32) MAOB

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 — — US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 — — EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 — — EP claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 — — EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 — — US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 — — WO claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 — — WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 — — US claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 — — WO claimed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 — — US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 — — US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 — — US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 — — US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 — — US disclosed
EP-0758453-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-19 — — EP disclosed
US-5602172-A USING A 2,5-DIPHENYLFURAN COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-11 — — US disclosed
US-5594138-A MEDICAL DIAGNOSIS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-01-14 — — US disclosed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 — — WO disclosed
WO-1996015126-A1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-05-23 — — WO disclosed
WO-1995030901-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-11-16 — — 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 (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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 NISCH 967/4885TOP2A 59/4885TOP2B 104/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC NISCH 284/4885TOP2A 63/4885TOP2B 43/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 NISCH 3115/4885TOP2A 2285/4885TOP2B 2297/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 NISCH 59/4885TOP2A 2035/4885TOP2B 1896/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 NISCH 3115/4885TOP2A 2285/4885TOP2B 2297/4885

“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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