SCHEMBL4568064

SCHEMBL4568064

COc1ccc(CC(=O)c2cnco2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
DYRK1A Q13627 1/20 0.38
MAPK1 P28482 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
NOD2 Q9HC29 1/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR1I2 O75469 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP17A1 P05093 1/20 0.34
RGS12 O14924 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4568063 0.81 MAPT (0.45) MAPK1MAPTTSHRKMT2ANPSR1
SCHEMBL4568368 0.81 DYRK1A (0.39) DYRK1AMAPTTSHRCTSLCTSB
SCHEMBL4568060 0.80 SMN1; SMN2 (0.42) MAPK1MAPTTSHRKMT2ANPSR1
SCHEMBL4568053 0.80 TSHR (0.49) MAPTTSHRKMT2APOLBMEN1
SCHEMBL7963161 0.79 KMT2A (0.40) MAPK1MAPTTSHRKMT2ANPSR1
SCHEMBL4568366 0.79 DYRK1A (0.37) DYRK1AMAPTTSHRCTSLCTSB
SCHEMBL4568012 0.78 KMT2A (0.45) MAPK1MAPTKMT2APOLBMEN1
SCHEMBL4568014 0.78 SMN1; SMN2 (0.41) MAPK1MAPTTSHRCTSLCTSB
SCHEMBL4568067 0.78 KMT2A (0.50) MAPTKMT2APOLBMEN1ALDH1A1
SCHEMBL4568052 0.78 NPC1 (0.46) MAPK1MAPTTSHRKMT2AMEN1

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R DGAT2 1737/4885DYRK1A 920/4885MAPK1 855/4885

“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.