SCHEMBL4568065

SCHEMBL4568065

CC(C)c1ccc(CC(=O)c2ccccc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
HDAC1 Q13547 1/20 0.37
CNR2 P34972 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ELANE P08246 1/20 0.37
CTRB1 P17538 1/20 0.37
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL17230169 0.83 NR1H4 (0.48) BRD4CNR2BRD9SUCNR1MEN1
SCHEMBL4568012 0.83 KMT2A (0.45) MEN1KMT2A
SCHEMBL4568020 0.83 PPARG (0.40) BRD4HDAC1CNR2BRD9SUCNR1
SCHEMBL4568022 0.81 EPHX1 (0.45) CNR2MEN1KMT2A
SCHEMBL4568364 0.80 POLQ (0.39) BRD4CNR2BRD9SUCNR1KMT2A
SCHEMBL4568376 0.76 MEN1 (0.43) BRD4BRD9MEN1KMT2A
SCHEMBL8761774 0.76 KMT2A (0.42) MEN1KMT2A
SCHEMBL4568367 0.76 MEN1 (0.43) MEN1KMT2A
SCHEMBL28809491 0.75 MAPT (0.35) MEN1KMT2A
SCHEMBL4568067 0.75 KMT2A (0.50) MEN1KMT2A

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-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 BRD4 162/4885GABRB1 584/4885GABRB2 1120/4885

“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.