SCHEMBL3342580

SCHEMBL3342580

COc1cc(N)c(Br)cc1S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.42
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
PRKDC P78527 1/20 0.38
CYP2C19 P33261 1/20 0.37
NPC1 O15118 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
SCHEMBL10915114 0.79 PKM (0.61) PKMSMN1; SMN2POLBL3MBTL1TSHR
SCHEMBL3342573 0.77 LCK (0.47) PKMSMN1; SMN2TSHRNPSR1KDM4E
SCHEMBL935876 0.76 POLB (0.67) PKMPOLBL3MBTL1TSHRMAPT
SCHEMBL23759796 0.74 L3MBTL1 (0.78) PKMPOLBL3MBTL1TSHRMAPT
SCHEMBL30052469 0.74 POLB (0.58) PKMPOLBL3MBTL1MAPTNPSR1
SCHEMBL23885270 0.74 POLB (0.58) PKMPOLBL3MBTL1MAPTNPSR1
SCHEMBL3714858 0.73 LCK (0.47) SMN1; SMN2POLBTSHRNPSR1KDM4E
SCHEMBL8777836 0.73 PKM (0.73) PKMSMN1; SMN2POLBL3MBTL1TSHR
SCHEMBL20755697 0.72 P2RX3 (0.55) PKMSMN1; SMN2POLBTSHRP2RX3
SCHEMBL8777777 0.72 PKM (1.00) PKMPOLBL3MBTL1TSHRP2RX3

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 4 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
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP 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 PKM 1532/4885SMN1; SMN2 2596/4885POLB 4130/4885

“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.