SCHEMBL3032852

SCHEMBL3032852

OCc1[nH]c(C2CC2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ADORA1 P30542 2/20 0.31
ADORA2A P29274 1/20 0.31
FASN P49327 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
SCHEMBL11092700 0.92 ADORA2B (0.37) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL8550454 0.72 IDO1 (0.36) KDM4EMEN1KMT2A
SCHEMBL3028139 0.68
SCHEMBL14488085 0.67 ADORA1 (0.35) PDE10AALDH1A1POLBMAPTHPGD
SCHEMBL3027998 0.65 GAA (0.39) KDM4EMEN1KMT2AADORA1ADORA2A
SCHEMBL3022456 0.64 PDE10A (0.32) PDE10AALDH1A1POLBMAPTHPGD
SCHEMBL3031165 0.64 KDM4E (0.32) KDM4EMEN1KMT2A
SCHEMBL25391200 0.63 PDE10A (0.54) PDE10A
SCHEMBL7745453 0.62 KDM4E (0.34) KDM4EMEN1KMT2A
SCHEMBL16992325 0.61 PARP1 (0.38) MEN1KMT2APDE10AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
CN-101790313-A Compound (I) SMITHKLINE BEECHAM CORP 2010-07-28 CN disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885MEN1 3585/4885KMT2A 751/4885

“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.