SCHEMBL958178

SCHEMBL958178

COc1ccc(CCOc2cccc(-c3cccc(NC(C)=O)c3)n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPK1 P28482 3/20 0.61
BRAF P15056 6/20 0.52
FYN P06241 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 3/20 0.48
KIT P10721 1/20 0.48
CNR1 P21554 1/20 0.48
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
TP53 P04637 2/20 0.44
STAT1 P42224 2/20 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
SCHEMBL12919168 0.94 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12919170 0.93 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12919127 0.91 MAPK1 (0.52) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12947769 0.90 MAPK1 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12947772 0.89 MAPK1 (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12947683 0.89 MAPK1 (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12947658 0.89 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12947731 0.89 MAPK1 (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12919154 0.88 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL12919130 0.88 MAPK1 (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US claimed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP claimed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 ALDH1A1 2384/4885MAPT 4154/4885MEN1 4161/4885

“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.