SCHEMBL4568069

SCHEMBL4568069

COc1ccc(CC(=O)c2cnc(C)s2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
DYRK1A Q13627 2/20 0.37
NR1I2 O75469 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ABCB1 P08183 1/20 0.34
P2RX3 P56373 1/20 0.34
HSD11B1 P28845 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL4568066 0.85 GAA (0.40) MAPTTP53DYRK1ANR1I2SMN1; SMN2
SCHEMBL4568056 0.81 MAPT (0.45) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4568052 0.79 NPC1 (0.46) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4568368 0.78 DYRK1A (0.39) MAPTTP53DYRK1ANR1I2SMN1; SMN2
SCHEMBL7963161 0.78 KMT2A (0.40) MAPTTP53NR1I2SMN1; SMN2KMT2A
SCHEMBL4568012 0.78 KMT2A (0.45) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4568059 0.78 TSHR (0.39) TP53NR1I2SMN1; SMN2KMT2AMEN1
SCHEMBL4568050 0.77 NPC1 (0.50) MAPTTP53KMT2AMEN1LMNA
SCHEMBL4568051 0.77 KCNK3 (0.45) TP53SMN1; SMN2KMT2ARAB9APOLB
SCHEMBL4568014 0.77 SMN1; SMN2 (0.41) MAPTTP53NR1I2SMN1; SMN2KMT2A

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 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 MAPT 3199/4885TP53 2015/4885DYRK1A 920/4885

“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.