SCHEMBL1280153

SCHEMBL1280153

C=C(COc1ccc(OC)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
GRIN2C Q14957 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1280692 0.82 POLB (0.57) MAPTL3MBTL1GAAPOLBLMNA
SCHEMBL20446944 0.75 CA1 (0.65) MAPTKMT2AL3MBTL1GAAPOLB
SCHEMBL4743799 0.72 HPGD (0.68) MAPTKMT2AGAAPOLBLMNA
SCHEMBL2016516 0.71 TSHR (0.47) POLBALDH1A1
SCHEMBL8552180 0.71 LMNA (0.51) MAPTL3MBTL1LMNAALDH1A1
SCHEMBL6990537 0.70 HPGD (0.53) MAPTKMT2AL3MBTL1POLBLMNA
SCHEMBL1072731 0.69 GPR174 (0.51) MAPTKMT2AL3MBTL1GAALMNA
SCHEMBL16795752 0.69 TSHR (0.48) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL20619804 0.68 MAOA (0.44) POLBALDH1A1
SCHEMBL1145316 0.68 SLC6A4 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261176-B 1, 4-oxazepane derivatives TAKEDA PHARMACEUTICAL 2015-06-03 CN disclosed
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
EP-2625170-A1 1,4-OXAZEPANE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2013-08-14 EP disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 US disclosed
WO-2012046882-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 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 (2 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-20130267494-A1 1,4-OXAZEPANE DERIVATIVES MAOB, SLC6A4, SLC6A2 MAPT 2268/4885KMT2A 715/4885L3MBTL1 4304/4885
US-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA MAPT 926/4885KMT2A 364/4885L3MBTL1 3863/4885

“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.