SCHEMBL353820

SCHEMBL353820

CNC(=O)c1c(C)noc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.53
IP6K3 Q96PC2 2/20 0.53
IP6K2 Q9UHH9 2/20 0.53
PTGS1 P23219 2/20 0.52
TRPA1 O75762 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
PTPN1 P18031 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 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
SCHEMBL928538 0.83 PTGS1 (0.54) IP6K1IP6K3IP6K2PTGS1TRPA1
Hydrochloric Acid SCHEMBL19119250 0.82 PTGS1 (0.53) IP6K1IP6K3IP6K2PTGS1TRPA1
SCHEMBL4676416 0.82 PTGS1 (0.53) PTGS1TRPA1ALDH1A1KMT2AMEN1
SCHEMBL16502243 0.81 PTGS1 (0.73) PTGS1TRPA1ALDH1A1KMT2AMEN1
SCHEMBL5533717 0.81 KMT2A (0.58) IP6K1PTGS1TRPA1ALDH1A1KMT2A
SCHEMBL11128848 0.81 PTGS1 (0.51) IP6K1IP6K3IP6K2PTGS1TRPA1
SCHEMBL6710243 0.81 PTGS1 (0.51) IP6K1IP6K3IP6K2PTGS1TRPA1
SCHEMBL893014 0.81 PTGS1 (0.51) IP6K1IP6K3IP6K2PTGS1TRPA1
SCHEMBL13508 0.81 PTGS1 (0.51) IP6K1IP6K3IP6K2PTGS1TRPA1
SCHEMBL13438 0.79 PTGS1 (0.69) PTGS1TRPA1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
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 (2 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 IP6K1 600/4885IP6K3 498/4885IP6K2 662/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA IP6K1 1730/4885IP6K3 1723/4885IP6K2 1496/4885

“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.