SCHEMBL5533717

SCHEMBL5533717

Cc1noc(-c2ccccc2)c1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 2/20 0.58
POLB P06746 1/20 0.56
PTGS1 P23219 1/20 0.51
IP6K1 Q92551 1/20 0.47
PTPN1 P18031 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 1/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
BRD4 O60885 2/20 0.45
TDO2 P48775 1/20 0.45
NR1I2 O75469 1/20 0.44
BRD2 P25440 1/20 0.43
TP53 P04637 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 0.86 PTGS1 (0.54) KMT2AMEN1GAAPTGS1IP6K1
SCHEMBL4676416 0.85 PTGS1 (0.53) KMT2AMEN1GAAPTGS1PTPN1
Hydrochloric Acid SCHEMBL19119250 0.85 PTGS1 (0.53) KMT2AMEN1GAAPTGS1IP6K1
SCHEMBL13508 0.83 PTGS1 (0.51) KMT2AMEN1GAAPTGS1IP6K1
SCHEMBL6710243 0.83 PTGS1 (0.51) KMT2AMEN1GAAPTGS1IP6K1
SCHEMBL893014 0.83 PTGS1 (0.51) KMT2AMEN1GAAPTGS1IP6K1
SCHEMBL11128848 0.83 PTGS1 (0.51) KMT2AMEN1GAAPTGS1IP6K1
SCHEMBL16502243 0.81 PTGS1 (0.73) KMT2AMEN1PTGS1PTPN1MAPT
SCHEMBL353820 0.81 IP6K1 (0.53) KMT2AMEN1GAAPTGS1IP6K1
SCHEMBL13438 0.78 PTGS1 (0.69) KMT2AMEN1PTGS1MAPTKDM4E

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
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
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 (3 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 KMT2A 2514/4885MEN1 1279/4885GAA 2766/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 KMT2A 3181/4885MEN1 4100/4885GAA 111/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KMT2A 2853/4885MEN1 4132/4885GAA 143/4885

“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.