SCHEMBL309969

SCHEMBL309969

COC(=O)c1cc(-c2ccc(C)cc2)cc(-n2c(=O)oc3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.61
P2RX2 Q9UBL9 10/20 0.61
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.41
TNKS O95271 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
ASAH1 Q13510 1/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL2708742 0.94 P2RX3 (0.56) P2RX3P2RX2POLBMEN1KMT2A
SCHEMBL310958 0.87 P2RX3 (0.61) P2RX3P2RX2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1495498 0.73 TDP1 (0.64) POLBMEN1KMT2ARAB9AL3MBTL1
SCHEMBL17965442 0.72 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL13415725 0.70 CNR2 (0.60) POLBMEN1KMT2ARAB9AL3MBTL1
SCHEMBL311473 0.70 P2RX3 (0.62) P2RX3P2RX2MEN1KMT2AALDH1A1
SCHEMBL21241138 0.70 TDP1 (0.69) POLBMEN1KMT2ARAB9AL3MBTL1
SCHEMBL2271062 0.70 CYP11B1 (0.39) P2RX3P2RX2POLBMEN1KMT2A
SCHEMBL311221 0.69 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL359422 0.68 TP53 (0.61) MEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
US-9512112-B2 Substituted pyridines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-12-06 US disclosed
EP-2445889-B1 NOVEL BENZOXAZOLONE -SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-08-10 EP disclosed
EP-2445889-B1 NOVEL BENZOXAZOLONE -SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-08-10 EP disclosed
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-10-30 US disclosed
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-10-30 US disclosed
US-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS CHEN LI (CN) 2012-04-05 US disclosed
US-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS CHEN LI (CN) 2012-04-05 US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093275-B2 Oxazolone and pyrrolidinone-substituted pryidine amides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO disclosed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US disclosed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US 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 (4 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-20120083500-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X 2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885POLB 2894/4885
US-20140323499-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885POLB 3031/4885
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885POLB 3031/4885
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885POLB 4223/4885

“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.