SCHEMBL3347503

SCHEMBL3347503

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 4/20 0.44
PKM P14618 1/20 0.43
HPGD P15428 3/20 0.42
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL13254976 0.87 BCHE (0.48) TSHRLMNAPKMHPGDSMN1; SMN2
SCHEMBL3347499 0.83 PKM (0.44) TSHRLMNAPKMHPGDNPC1
SCHEMBL3341055 0.80 MEN1 (0.46) TSHRLMNAHPGDNPC1SMN1; SMN2
SCHEMBL15652108 0.77 TSHR (0.52) TSHRLMNAPKMHPGDNPC1
SCHEMBL24112746 0.73 TDP1 (0.72) TSHRLMNAPKMHPGDNPC1
SCHEMBL3342137 0.72 MAOA (0.38) LMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL9923324 0.72 TSHR (0.56) TSHRLMNAPKMHPGDNPC1
SCHEMBL3341076 0.71 L3MBTL1 (0.48) HPGDNPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL3751479 0.70 MEN1 (0.46) TSHRLMNAHPGDNPC1SMN1; SMN2
SCHEMBL21331704 0.70 MAOA (0.42) LMNAHPGDNPC1SMN1; SMN2RAB9A

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 TSHR 814/4885LMNA 2320/4885PKM 1532/4885

“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.