SCHEMBL3343573

SCHEMBL3343573

Cc1cc(Cl)c(CN(CCO)CCO)cc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CDK1 P06493 1/20 0.35
PARP1 P09874 2/20 0.34
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
NNMT P40261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
PNP P00491 2/20 0.32
HTT P42858 1/20 0.32
CLCN2 P51788 1/20 0.32
MAPT P10636 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3341636 0.82 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3PARP1ALDH1A1
SCHEMBL3342943 0.80 NNMT (0.37) ALDH1A1NNMTKDM4EGPR52CLCN2
SCHEMBL3341058 0.80 NNMT (0.39) ALDH1A1NNMTKDM4EGPR52CLCN2
SCHEMBL3343579 0.79 CDK1 (0.38) CDK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL3342933 0.77 POLB (0.40) ALDH1A1NNMTKDM4EGPR52CLCN2
SCHEMBL3347886 0.76 PDCD1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1NNMT
SCHEMBL3347587 0.71 SETDB1 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1NNMT
SCHEMBL3343157 0.68 NNMT (0.39) SLC6A3ALDH1A1NNMTHTTMAPT
SCHEMBL1100198 0.67 CDK1 (0.41) CDK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL3341075 0.67 KMT2A (0.40) SLC6A3ALDH1A1NNMTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
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 SLC6A2 948/4885SLC6A4 693/4885SLC6A3 477/4885

“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.