SCHEMBL1100528

SCHEMBL1100528

Cc1c(F)cccc1NC(=O)N1C=CC(=O)C[C@H]1c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.66
THRB P10828 1/20 0.43
CACNA1H O95180 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.36
CXCR2 P25025 1/20 0.36

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
SCHEMBL1099947 0.93 P2RX7 (0.67) P2RX7CACNA1HTP53
SCHEMBL1100598 0.91 P2RX7 (0.62) P2RX7SMN1; SMN2HPGD
SCHEMBL1099589 0.90 P2RX7 (0.75) P2RX7HTR7
SCHEMBL1098988 0.90 P2RX7 (0.75) P2RX7HTR7
SCHEMBL1099638 0.89 P2RX7 (0.60) P2RX7THRBCACNA1HHTR1FTP53
SCHEMBL1099744 0.88 P2RX7 (0.65) P2RX7HTR1FHPGD
SCHEMBL1098658 0.88 P2RX7 (0.59) P2RX7CACNA1HHTR1F
SCHEMBL1099198 0.88 P2RX7 (0.65) P2RX7HTR1FHPGD
SCHEMBL1100367 0.88 P2RX7 (0.65) P2RX7HTR1FHPGD
SCHEMBL1108383 0.88 P2RX7 (0.70) P2RX7CACNA1HSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US 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
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 5/4885THRB 1879/4885CACNA1H 570/4885

“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.