SCHEMBL3342774

SCHEMBL3342774

C[C@@H](O)c1cc(N)c(Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.40
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NR4A1 P22736 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN11 Q06124 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CD44 P16070 1/20 0.30
GFER P55789 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
SCHEMBL1099954 1.00 PDE2A (0.40) PDE2ALMNATP53HTTGAA
SCHEMBL3340038 1.00 PDE2A (0.40) PDE2ALMNATP53HTTGAA
SCHEMBL27859522 0.80 KDM4E (0.32) LMNATP53HTTALDH1A1
SCHEMBL14044065 0.78 CD44 (0.45) PDE2ALMNATP53HTTGAA
SCHEMBL27859523 0.77 LMNA (0.31) LMNATP53HTT
SCHEMBL3341566 0.75 CA1 (0.40) PDE2ALMNAHTTGAAPOLB
SCHEMBL3340033 0.75 CA1 (0.40) PDE2ALMNAHTTGAAPOLB
SCHEMBL3342762 0.75 CA1 (0.40) PDE2ALMNAHTTGAAPOLB
SCHEMBL93992 0.74 GAA (0.52) PDE2ALMNATP53HTTGAA
SCHEMBL3342238 0.71 GAA (0.53) TP53GAAPOLBMEN1APAF1

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 2 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-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 PDE2A 1729/4885LMNA 2320/4885TP53 1239/4885

“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.