SCHEMBL345561

SCHEMBL345561

[O]c1cccc2nc3ccccc3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NQO2 P16083 7/20 0.50
ACHE P22303 2/20 0.44
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39

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
SCHEMBL4654883 0.76 MAPT (0.69) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL27969901 0.75 MAPT (0.60) MAPTALDH1A1GAARAB9AKMT2A
Hydrochloric Acid SCHEMBL2733758 0.74 MAPT (0.48) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL29581806 0.73 MAPT (0.71) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL29402115 0.73 MAPT (0.71) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL2246928 0.73 MAPT (0.71) MAPTALDH1A1GAARAB9AKMT2A
Phenazine SCHEMBL29356959 0.72 MAPT (1.00) MAPTALDH1A1GAARAB9AKMT2A
SCHEMBL29657479 0.72 MAPT (0.83) MAPTALDH1A1GAARAB9AKMT2A
Phenazine SCHEMBL9049 0.72 MAPT (1.00) MAPTALDH1A1GAARAB9AKMT2A
Phenazine SCHEMBL27643128 0.72 MAPT (1.00) MAPTALDH1A1GAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266978-B1 Novel physiologically active substances EISAI R&D MAN CO LTD (JP) 2015-05-20 EP disclosed
EP-1548121-B1 Physiologically active substances EISAI R&D MAN CO LTD (JP) 2015-04-29 EP disclosed
EP-1849796-B1 ANTI-PENICILLIN RESISTANT PNEUMOCOCCI AGENT AND NOVEL 16-MEMBERED RING MACROLIDE DERIVATIVE MICROBIAL CHEM RES FOUND (JP) 2014-11-05 EP disclosed
US-8507453-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2013-08-13 US disclosed
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2012-01-19 US disclosed
US-8053418-B2 Anti-penicillin resistant pneumococci agent and novel 16-membered macrolide derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2011-11-08 US disclosed
US-20110136902-A1 12-MEMBERED-RING MACROLACTAM DERIVATIVES MIYANO MASAYUKI 2011-06-09 US disclosed
US-7932083-B2 Ferrodoxins; hydroxylases; self-replicating plasmid MERCIAN CORPORATION (JP) 2011-04-26 US disclosed
US-7893068-B2 Macrolide compounds comprising 18,19-epoxytricosa-8,12,14-trien-11-olide derivatives; angiogenesis inhibitors; anticarcinogenic, antimetastasis, antiinflammatory, and antitumor agents; antihypoxic agents; endothelial growth factor suppressors; retinal neovascularization, diabetic retinopathy MERCIAN CORPORATION (JP) 2011-02-22 US disclosed
EP-2266978-A1 Novel physiologically active substances MERCIAN CORPORATION (JP) 2010-12-29 EP disclosed
EP-1548121-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-06-29 EP disclosed
EP-1541570-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCE MERCIAN CORPORATION (JP) 2005-06-15 EP disclosed
EP-1508570-A1 NOVEL PHYSIOLGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-02-23 EP disclosed
EP-1414785-A1 NOVEL VINYL N-(2-BENZOYLPHENYL)-L-TYROSINE DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC NOVO NORDISK A/S (DK) 2004-05-06 EP disclosed
US-20030109560-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2003-06-12 US disclosed
US-20030055076-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2003-03-20 US disclosed
WO-2003011814-A1 NOVEL VINYL N-(2-BENZOYLPHENYL)-L-TYROSINE DERIVATIVES AND THEIR USE AS ANTIDIABETICS ETC NOVO NORDISK A/S (DK) 2003-02-13 WO disclosed
EP-0483851-B1 Pyrazolyl acrylic acid derivatives, intermediates thereto, and agricultural/horticultural fungicides containing said derivatives MITSUBISHI CHEM CORP (JP) 1996-03-13 EP disclosed
US-5128350-A PYRAZOLYL ACRYLIC ACID DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING SAID DERIVATIVES MITSUBISHI KASEI CORPORATION (JP) 1992-07-07 US disclosed
EP-0483851-A1 Pyrazolyl acrylic acid derivatives, intermediates thereto, and agricultural/horticultural fungicides containing said derivatives Mitsubishi Chemical Corporation (JP) 1992-05-06 EP 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 (4 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-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative PWWP2B, BRWD1, BAZ1A MAPT 3700/4885ALDH1A1 4196/4885GAA 1984/4885
US-20030055076-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD MAPT 4312/4885ALDH1A1 1513/4885GAA 1284/4885
US-20110136902-A1 12-MEMBERED-RING MACROLACTAM DERIVATIVES HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC1 MAPT 4760/4885ALDH1A1 2310/4885GAA 3306/4885
US-20030109560-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA MAPT 3113/4885ALDH1A1 1923/4885GAA 1002/4885

“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.