SCHEMBL310958

SCHEMBL310958

Cc1ccc(-c2cc(C(=O)O)cc(-n3c(=O)oc4ccccc43)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.61
P2RX2 Q9UBL9 10/20 0.61
DHODH Q02127 1/20 0.44
FABP1 P07148 1/20 0.43
P2RY14 Q15391 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CTRC Q99895 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A1 P22736 1/20 0.40

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
SCHEMBL309969 0.87 P2RX3 (0.61) P2RX3P2RX2ALDH1A1GAASMN1; SMN2
SCHEMBL15289179 0.77 ALDH1A1 (0.56) P2RX3P2RX2ALDH1A1GAASMN1; SMN2
SCHEMBL2710334 0.76 P2RX3 (0.48) P2RX3P2RX2DHODHFABP1P2RY14
SCHEMBL4622801 0.71 TNKS (0.55) ALDH1A1SMN1; SMN2IDO1L3MBTL1
SCHEMBL16196117 0.71 DHODH (0.70) DHODHFABP1P2RY14ALDH1A1GAA
SCHEMBL1495453 0.71 DHODH (0.70) DHODHFABP1P2RY14ALDH1A1GAA
SCHEMBL18196703 0.70 NPSR1 (0.51) IDO1L3MBTL1NR4A1
SCHEMBL3789107 0.70 HPGD (0.55) DHODHFABP1P2RY14
SCHEMBL4146832 0.70 CTRC (0.50) DHODHFABP1P2RY14ALDH1A1GAA
SCHEMBL4163607 0.69 DHODH (0.49) DHODHFABP1P2RY14ALDH1A1GAA

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 32 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 claimed
EP-2445889-B1 NOVEL BENZOXAZOLONE -SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-08-10 EP claimed
US-8809402-B2 Oxazolone and pyrrolidinone-substituted biphenyls as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-08-19 US claimed
EP-2445889-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP claimed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO claimed
US-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-12-23 US claimed
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
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 (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-20100324069-A1 OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885DHODH 3045/4885
US-20170056398-A1 SUBSTITUTED PYRIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885DHODH 3433/4885

“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.