SCHEMBL3344291

SCHEMBL3344291

Nc1cc(CO)c(Cl)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
NR4A1 P22736 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AHR P35869 3/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL17049143 0.92 GAA (0.39) GAAMEN1APAF1ALDH1A1POLB
SCHEMBL31503805 0.92 GAA (0.39) GAAMEN1APAF1ALDH1A1POLB
SCHEMBL3468380 0.84 MEN1 (0.34) GAAMEN1APAF1ALDH1A1POLB
SCHEMBL13375339 0.82 GAA (0.46) GAAALDH1A1THRBCA12CA1
SCHEMBL10642362 0.80 GAA (0.50) GAAALDH1A1THRBRECQLCA12
SCHEMBL3341060 0.79 ALDH1A1 (0.43) GAAMEN1ALDH1A1MAPTKMT2A
SCHEMBL31045274 0.76 GAA (0.57) GAAALDH1A1THRBRECQLCA12
SCHEMBL1315873 0.76 CBFB (0.31) AHR
SCHEMBL2554312 0.75 KDM1A (0.44)
SCHEMBL17601428 0.75 AHR (0.40) GAAALDH1A1AHRCA12CA1

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 GAA 4302/4885MEN1 2789/4885APAF1 2665/4885

“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.