SCHEMBL1225933

SCHEMBL1225933

CC(=O)c1cc([N+](=O)[O-])c(C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GPR35 Q9HC97 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 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
SCHEMBL2567904 0.91 TSHR (0.41) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL2443339 0.86 TSHR (0.51) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL5521904 0.86 TDP1 (0.44) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL21067054 0.85 ALDH1A1 (0.40) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL28521194 0.85 TSHR (0.42) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL30640048 0.85 ALDH1A1 (0.40) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL15938731 0.85 ALDH1A1 (0.45) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL15797124 0.83 TTR (0.43) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL31439542 0.83 TTR (0.43) TSHRALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL19175001 0.82 GAA (0.45) TSHRALDH1A1MAPTTHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-07-19 US disclosed
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
WO-2011012592-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO disclosed
WO-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20180201609-A1 INDAZOLE AND AZAINDAZOLE COMPOUNDS AS IRAK-4 INHIBITORS IRAK4, IRAK3, IRAK2 TSHR 3306/4885ALDH1A1 1435/4885MAPT 1947/4885
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 TSHR 1051/4885ALDH1A1 1506/4885MAPT 2598/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 TSHR 462/4885ALDH1A1 1357/4885MAPT 4154/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 TSHR 3409/4885ALDH1A1 1904/4885MAPT 1817/4885

“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.