SCHEMBL6521371

SCHEMBL6521371

CN1C=C(C(=O)O)C(c2ccc(F)cc2)N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
RXFP1 Q9HBX9 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 1/20 0.38
HTR7 P34969 4/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL12901900 0.86 LMNA (0.47) KMT2ARXFP1MEN1HPGDKDM4E
SCHEMBL7660499 0.84 ADRA1D (0.43) HTR7ADRA1DADRA1AADRA1B
SCHEMBL1226766 0.81 ACHE (0.43) HPGDKDM4EALDH1A1TDP1HTR7
SCHEMBL9103921 0.78 RXFP1 (0.40) KMT2ARXFP1MEN1HPGDKDM4E
SCHEMBL1225830 0.78 RXFP1 (0.40) KMT2ARXFP1MEN1HPGDKDM4E
SCHEMBL1225931 0.75 P2RX7 (0.50) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL1225559 0.75 P2RX7 (0.50) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL13254941 0.74 GPBAR1 (0.50) KMT2AALDH1A1HTR7
Hydrochloric Acid SCHEMBL1225887 0.74 P2RX7 (0.49) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL3342719 0.74 GPBAR1 (0.50) KMT2AALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 KMT2A 3668/4885RXFP1 39/4885MEN1 2873/4885

“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.