SCHEMBL3347499

SCHEMBL3347499

CNC(=O)COc1cc(C(N)=O)c(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL3347503 0.83 TSHR (0.46) PKMTSHRNPC1RAB9ALMNA
SCHEMBL3341052 0.81 MEN1 (0.44) TSHRNPC1LMNAALDH1A1HPGD
SCHEMBL3341073 0.78 L3MBTL1 (0.43) TSHRNPC1RAB9AMAPTLMNA
SCHEMBL3342131 0.77 P2RX7 (0.37) TSHRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL30462870 0.76 LCK (0.51) TSHRNPC1MAPTALDH1A1HPGD
SCHEMBL3344860 0.76 LCK (0.51) TSHRNPC1MAPTALDH1A1HPGD
SCHEMBL13254976 0.76 BCHE (0.48) PKMTSHRLMNAALDH1A1HPGD
SCHEMBL3347697 0.74 SCN9A (0.35) TSHRMAPTLMNAALDH1A1TDP1
SCHEMBL8160210 0.72 LMNA (0.41) PKMTSHRNPC1RAB9ALMNA
SCHEMBL3342251 0.72 TSHR (0.33) TSHRMAPTLMNAALDH1A1HPGD

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 1532/4885TSHR 814/4885NPC1 1583/4885

“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.