SCHEMBL3473073

SCHEMBL3473073

CNc1nc(Cl)cc(-c2ccccc2)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.76
KDM4E B2RXH2 2/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
AGTR1 P30556 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADORA1 P30542 7/20 0.47
ADORA3 P0DMS8 3/20 0.47
XDH P47989 1/20 0.45
LMNA P02545 2/20 0.45
NUDT1 P36639 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA2B P29275 1/20 0.44
TRIM58 Q8NG06 1/20 0.44

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
SCHEMBL26523872 0.87 TDP1 (1.00) TDP1AGTR1MAPTMEN1ALDH1A1
SCHEMBL13111256 0.84 TDP1 (0.53) TDP1KDM4EHSP90AA1HSP90AB1AGTR1
SCHEMBL3419932 0.81 KDM4E (0.51) TDP1KDM4EHSP90AA1HSP90AB1AGTR1
SCHEMBL3289041 0.81 MAPT (0.55) TDP1KDM4EHSP90AA1HSP90AB1AGTR1
SCHEMBL1445263 0.79 TDP1 (0.76) TDP1KDM4EAGTR1MAPTMEN1
SCHEMBL24310308 0.77 KDM4E (0.50) TDP1KDM4EHSP90AA1HSP90AB1AGTR1
SCHEMBL1318655 0.76 POLB (0.42) TDP1MAPTALDH1A1ADORA1LMNA
SCHEMBL602093 0.76 KDM4E (0.61) TDP1KDM4EHSP90AA1HSP90AB1MAPT
SCHEMBL413907 0.75 MEN1 (0.79) TDP1KDM4EHSP90AA1HSP90AB1AGTR1
SCHEMBL423874 0.75 KDM4E (0.66) TDP1KDM4EHSP90AA1HSP90AB1MAPT

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-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
EP-2240021-A1 NOVEL SEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2009097474-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 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-20100324076-A1 Novel sEH Inhibitors and their Use EPHX1, NCEH1, PCSK9 TDP1 3479/4885KDM4E 886/4885HSP90AA1 3216/4885

“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.