SCHEMBL3980743

SCHEMBL3980743

COC(=O)c1cccc(Oc2ncc(Br)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
MET P08581 1/20 0.46
ALK Q9UM73 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.45
HPGDS O60760 1/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
RECQL P46063 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
SCHEMBL4250420 0.86 KMT2A (0.73) MEN1KMT2ASMN1; SMN2ALKGAA
SCHEMBL6798334 0.85 MEN1 (0.72) MEN1KMT2AL3MBTL1SMN1; SMN2TP53
SCHEMBL19032083 0.84 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1NR1H2NR1H3
SCHEMBL4093965 0.82 MAPT (0.51) MEN1KMT2AL3MBTL1SMN1; SMN2TP53
SCHEMBL2436534 0.80 L3MBTL1 (0.65) MEN1KMT2AL3MBTL1SMN1; SMN2TP53
SCHEMBL11494980 0.80 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1SMN1; SMN2TP53
SCHEMBL20616269 0.80 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1NR1H2NR1H3
SCHEMBL1951208 0.78 CDK8 (0.54) NPC1RAB9AALDH1A1
SCHEMBL13735767 0.77 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1NR1H2NR1H3
SCHEMBL22405016 0.77 RAB9A (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT

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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 MEN1 1922/4885KMT2A 620/4885L3MBTL1 1488/4885

“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.