SCHEMBL4568050

SCHEMBL4568050

COc1ccc(CC(=O)c2ccccc2C)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.42
LMNA P02545 4/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4568057 0.88 KMT2A (0.44) RAB9AMEN1KMT2AALDH1A1RXFP1
SCHEMBL4568058 0.88 RAB9A (0.44) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL4568012 0.85 KMT2A (0.45) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4568060 0.83 SMN1; SMN2 (0.42) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4568051 0.83 KCNK3 (0.45) NPC1RAB9AKMT2AGAATSHR
SCHEMBL4568067 0.82 KMT2A (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4568052 0.82 NPC1 (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7963161 0.81 KMT2A (0.40) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4568014 0.80 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4568359 0.80 RAB9A (0.39) NPC1RAB9ALMNAMAPTTP53

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 NPC1 1150/4885RAB9A 1646/4885MEN1 2993/4885

“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.