SCHEMBL4568022

SCHEMBL4568022

CCOc1ccc(CC(=O)c2ccccc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MITF O75030 1/20 0.41
PAX8 Q06710 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 5/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL4568012 0.89 KMT2A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4568020 0.84 PPARG (0.40) RAB9ACNR2
SCHEMBL17230169 0.82 NR1H4 (0.48) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4568067 0.81 KMT2A (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4568065 0.81 BRD4 (0.38) MEN1KMT2ACNR2
SCHEMBL4568051 0.79 KCNK3 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL4568364 0.79 POLQ (0.39) KMT2AL3MBTL1PKMCNR2
SCHEMBL4568365 0.79 KMT2A (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4568052 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4568054 0.78 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 EPHX1 1567/4885NPC1 1150/4885RAB9A 1646/4885

“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.