SCHEMBL3955093

SCHEMBL3955093

O=c1c(Br)c(N2CCCC2)nc2ccccn12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPT P10636 6/20 0.52
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
GFER P55789 1/20 0.52
RXFP1 Q9HBX9 2/20 0.51
RECQL P46063 1/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL29957473 0.80 ALDH1A1 (0.97) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL29957359 0.79 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL15331618 0.79 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL3961043 0.76 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL5131549 0.73 KDM4E (0.62) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL2820859 0.73 KMT2A (0.53) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL14142352 0.72 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL14142353 0.72 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL890634 0.71 MAPT (0.55) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL2574902 0.70 GAA (0.69) ALDH1A1L3MBTL1MAPTPOLBGAA

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
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO 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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B ALDH1A1 1009/4885L3MBTL1 2597/4885MAPT 183/4885

“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.