SCHEMBL4013115

SCHEMBL4013115

O=[N+]([O-])c1ccc2oc(CO)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 4/20 0.55
POLB P06746 3/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
XDH P47989 1/20 0.48
F12 P00748 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL8381918 0.84 MAOB (0.51) MAOBMAOAPOLBCA12CA9
SCHEMBL8420073 0.84 CA12 (0.54) MAOBMAOAPOLBCA12CA9
SCHEMBL5711170 0.84 CA12 (0.54) MAOBMAOAPOLBCA12CA9
SCHEMBL27922627 0.84 MAOB (0.51) MAOBMAOAPOLBCA12CA9
SCHEMBL27907204 0.83 MAOB (0.58) MAOBMAOAPOLBCA12CA9
SCHEMBL8565889 0.81 MAOB (0.49) MAOBMAOAPOLBCA12CA9
SCHEMBL8178252 0.81 CA12 (0.51) MAOBMAOAPOLBCA12CA9
SCHEMBL5606647 0.81 MAOB (0.49) MAOBMAOAPOLBCA12CA9
SCHEMBL27841947 0.81 MAOA (0.56) MAOBMAOAPOLBCA12CA9
SCHEMBL2105292 0.80 CA12 (0.50) MAOBMAOAPOLBCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8034959-B2 Methods of treating cancer with an antibody-drug conjugate MEDAREX, INC. (US) 2011-10-11 US disclosed
US-8008310-B2 Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same SANOFI-AVENTIS (FR) 2011-08-30 US disclosed
US-8008310-B2 Derivatives of pyrido[2,3-d]pyrimidine, the preparation thereof, and the therapeutic application of the same SANOFI-AVENTIS (FR) 2011-08-30 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 US disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
US-20090163522-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same SANOFI-AVENTIS (FR) 2009-06-25 US disclosed
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
EP-1418906-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-05-19 EP disclosed
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 US disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2003015769-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-27 WO disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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 (9 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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT MAOB 2177/4885MAOA 2223/4885POLB 3940/4885
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 MAOB 1147/4885MAOA 1324/4885POLB 3121/4885
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAOB 126/4885MAOA 257/4885POLB 1943/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAOB 126/4885MAOA 257/4885POLB 1943/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAOB 126/4885MAOA 257/4885POLB 1943/4885
US-20090163522-A1 Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same DPYD, TYMP, TYMS MAOB 355/4885MAOA 1022/4885POLB 192/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAOB 126/4885MAOA 257/4885POLB 1943/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 MAOB 2164/4885MAOA 1981/4885POLB 4028/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAOB 126/4885MAOA 257/4885POLB 1943/4885

“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.