SCHEMBL5698440

SCHEMBL5698440

O=C(Nn1cccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
HTT P42858 2/20 0.53
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
HDAC1 Q13547 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL28130121 0.82 ALDH1A1 (0.55) CYP2C9CYP2C19CYP3A4HTTHDAC1
SCHEMBL12841358 0.79 TSHR (0.70) CYP2C9CYP2C19CYP3A4GAALMNA
SCHEMBL3221999 0.79 HPGDS (0.55) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL6598806 0.77 TSHR (0.53) CYP2C9CYP2C19CYP3A4HTTHDAC3
SCHEMBL9713098 0.72 CYP3A4 (0.49) CYP2C9CYP2C19CYP3A4HTTHDAC3
Benzohydroxamate SCHEMBL11883624 0.72 HDAC8 (0.95) HDAC3CA12CA1IDO1ALOX15
SCHEMBL17714580 0.71 CYP3A4 (0.52) CYP2C9CYP2C19CYP3A4HTTHDAC3
SCHEMBL2399935 0.71 HTT (0.96) CYP2C9CYP2C19CYP3A4HTTHDAC8
SCHEMBL3824146 0.71 HTT (0.56) CYP2C9CYP2C19CYP3A4HTTHDAC3
SCHEMBL2462957 0.71

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655257-A ASH1L inhibitors and methods of treatment therewith 密歇根大学董事会 2020-09-11 CN disclosed
CN-111542318-A ASH1L degradants and methods of treatment therewith 密歇根大学董事会 2020-08-14 CN disclosed
US-20130096334-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst The United States of America as represented by the Administrator of the United States Environment Pr (US) 2013-04-18 US disclosed
US-20130096334-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst The United States of America as represented by the Administrator of the United States Environment Pr (US) 2013-04-18 US disclosed
US-8324125-B2 Magnetic nanoparticle-supported glutathione as a sustainable organocatalyst THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE U.S. ENVIRONMENTAL PROTECTION AGENCY (US) 2012-12-04 US disclosed
US-8324125-B2 Magnetic nanoparticle-supported glutathione as a sustainable organocatalyst THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE U.S. ENVIRONMENTAL PROTECTION AGENCY (US) 2012-12-04 US disclosed
US-20110054180-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst USA as Represented by the Administrator of U.S. Environmental Protection Agency (US) 2011-03-03 US disclosed
US-20110054180-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst USA as Represented by the Administrator of U.S. Environmental Protection Agency (US) 2011-03-03 US disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 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-20110054180-A1 Magnetic Nanoparticle-Supported Glutathione as a Sustainable Organocatalyst GSTK1, GSTA1, GSTP1 CYP2C9 1774/4885CYP2C19 1576/4885CYP3A4 1131/4885

“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.