SCHEMBL5534089

SCHEMBL5534089

CCCNC(=O)c1c(-c2ccccc2)noc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.73
HDAC6 Q9UBN7 4/20 0.69
HDAC1 Q13547 2/20 0.69
HDAC3 O15379 2/20 0.69
NCOR2 Q9Y618 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPT P10636 2/20 0.69
HDAC4 P56524 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
TSHR P16473 3/20 0.65
ALDH1A1 P00352 2/20 0.64
HTT P42858 2/20 0.64
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL26377827 0.92 GAA (0.83) GAAL3MBTL1HDAC6HDAC1HDAC3
SCHEMBL5533585 0.89 L3MBTL1 (0.69) GAAL3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6773023 0.86 L3MBTL1 (0.76) GAAL3MBTL1HDAC6HDAC1HDAC3
SCHEMBL1930296 0.83 MEN1 (0.70) GAAL3MBTL1HDAC6HDAC1HDAC3
SCHEMBL976467 0.81 TSHR (0.68) GAAL3MBTL1HDAC6HDAC1MEN1
SCHEMBL352886 0.81 TSHR (0.68) GAAL3MBTL1MEN1KMT2ATSHR
SCHEMBL12085534 0.81 L3MBTL1 (0.69) GAAL3MBTL1HDAC6HDAC1HDAC3
SCHEMBL10927227 0.80 L3MBTL1 (0.58) GAAL3MBTL1HDAC6HDAC1HDAC3
SCHEMBL9848204 0.79 KMT2A (0.64) GAAMEN1KMT2AMAPTTSHR
Hydrochloric Acid SCHEMBL10999011 0.79 L3MBTL1 (0.57) GAAL3MBTL1HDAC6HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384418-C Isoxazolopyridinones and use thereof in the treatment of parkinson's disease NOVARTIS AG (CH) 2008-04-30 CN disclosed
EP-1418912-B1 ISOXAZOLOPYRIDINONES NOVARTIS AG (CH) 2007-02-28 EP disclosed
US-7087756-B2 Isoxazolopyridinones NOVARTIS AG (CH) 2006-08-08 US disclosed
CN-1635889-A Isoxazolopyridinones and their use in the treatment of parkinson's disease NOVARTIS AG (CH) 2005-07-06 CN disclosed
US-20040248893-A1 Isoxazolopyridinones NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1418912-A2 ISOXAZOLOPYRIDINONES Novartis AG (CH) 2004-05-19 EP disclosed
WO-2003015780-A2 ISOXAZOLOPYRIDINONES AND USE THEREOF IN THE TREATMENT OF PARKINSON'S DISEASE NOVARTIS AG (CH) 2003-02-27 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 (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-20040248893-A1 Isoxazolopyridinones XDH, NPY1R, TBXA2R GAA 2766/4885L3MBTL1 4648/4885HDAC6 2843/4885

“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.