SCHEMBL3785117

SCHEMBL3785117

CC(C)(C)OC(=O)N=C(N)N(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
PAX8 Q06710 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ATM Q13315 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
AKT1 P31749 2/20 0.32

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
SCHEMBL3771902 0.89 PPARA (0.38) NPSR1L3MBTL1PAX8HDAC3HDAC1
SCHEMBL15876020 0.88 MAPT (0.39) KMT2AMEN1SMN1; SMN2MAPTPAX8
SCHEMBL17894521 0.87 MIF (0.36) PAX8
SCHEMBL3777967 0.87 SCN2A (0.32) MAPTPAX8ALDH1A1
SCHEMBL15140038 0.86 F2 (0.35) RAB9ACYP2C9BRD4TDP1ALDH1A1
SCHEMBL3775825 0.84 KDM4E (0.33) RAB9ASMN1; SMN2MAPTPAX8HDAC3
SCHEMBL7797012 0.82 UNG (0.32) RAB9ASMN1; SMN2BRD4MAPT
SCHEMBL207903 0.82 MTNR1B (0.35) L3MBTL1BRD4
SCHEMBL3365949 0.82 NQO2 (0.36) PAX8TDP1ALDH1A1HSD17B10
SCHEMBL3778075 0.81 TP53 (0.31) MAPT

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
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO disclosed
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 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 (2 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB KMT2A 4411/4885MEN1 3309/4885RAB9A 1751/4885
US-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C KMT2A 2799/4885MEN1 4796/4885RAB9A 648/4885

“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.