SCHEMBL3341052

SCHEMBL3341052

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 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
SCHEMBL13254966 0.85 ALDH1A1 (0.45) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL3341055 0.83 MEN1 (0.46) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL3347499 0.81 PKM (0.44) KMT2ATSHRHPGDALDH1A1SMN1; SMN2
SCHEMBL3341073 0.78 L3MBTL1 (0.43) TSHRKDM4EHPGDALDH1A1HSD17B10
SCHEMBL3342131 0.77 P2RX7 (0.37) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL3344860 0.76 LCK (0.51) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL30462870 0.76 LCK (0.51) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL13254968 0.76 KDM4E (0.46) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL14303253 0.75 POLB (0.48) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL11083442 0.74 KDM4E (0.49) MEN1KMT2ATSHRKDM4EHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2789/4885KMT2A 3901/4885TSHR 814/4885

“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.