SCHEMBL1108397

SCHEMBL1108397

CC(C)(C)[Si](C)(C)OCCOc1cc(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)c(Br)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.76
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1100859 0.90 P2RX7 (0.78) P2RX7SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL1099788 0.89 P2RX7 (0.85) P2RX7SMN1; SMN2MAPTKDM4E
SCHEMBL1100285 0.87 P2RX7 (1.00) P2RX7SMN1; SMN2KDM4E
SCHEMBL1098495 0.84 P2RX7 (0.82) P2RX7SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL1098497 0.84 P2RX7 (0.82) P2RX7SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL1100144 0.84 P2RX7 (0.80) P2RX7SMN1; SMN2KDM4E
SCHEMBL1099699 0.84 P2RX7 (0.81) P2RX7SMN1; SMN2MAPT
SCHEMBL1099697 0.84 P2RX7 (0.81) P2RX7SMN1; SMN2MAPT
SCHEMBL1100244 0.83 P2RX7 (1.00) P2RX7SMN1; SMN2KDM4E
SCHEMBL1098987 0.83 P2RX7 (0.78) P2RX7SMN1; SMN2LMNAMAPT

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 3 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-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 5/4885SMN1; SMN2 2596/4885LMNA 2320/4885

“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.