SCHEMBL3341365

SCHEMBL3341365

O=C1C=CN(C(=O)O)C(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.52
RIPK1 Q13546 5/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SRD5A1 P18405 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3343887 1.00 P2RX7 (0.52) P2RX7RIPK1NFKB1NFKB2RELA
SCHEMBL3830752 0.87 P2RX7 (0.50) P2RX7RIPK1NFKB1NFKB2RELA
SCHEMBL4349642 0.87 P2RX7 (0.53) P2RX7RIPK1ALDH1A1
SCHEMBL26984284 0.87 P2RX7 (0.50) P2RX7RIPK1NFKB1NFKB2RELA
SCHEMBL3341987 0.86 P2RX7 (0.54) P2RX7
SCHEMBL1100850 0.86 P2RX7 (0.54) P2RX7
SCHEMBL16400796 0.86 P2RX7 (0.46) P2RX7MEN1KMT2A
SCHEMBL3347125 0.84 RIPK1 (0.47) P2RX7RIPK1ALDH1A1
SCHEMBL3347134 0.84 RIPK1 (0.47) P2RX7RIPK1ALDH1A1
SCHEMBL3344885 0.84 KDM4E (0.47) RIPK1ALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290881-B Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2021-12-07 CN disclosed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
CN-102264701-A Dihydropyridone ureas as P2X7 modulators 2011-11-30 CN disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS 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 (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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 P2RX7 5/4885RIPK1 1786/4885NFKB1 1366/4885

“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.