SCHEMBL20547714

SCHEMBL20547714

O=C(NCCCc1nnc(C2CC2)n1-c1ccc(F)cc1)NC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MFN2 O95140 1/20 0.56
CHRM4 P08173 1/20 0.41
CCR3 P51677 1/20 0.39
GABRA5 P31644 5/20 0.39
EPHX1 P07099 3/20 0.38
GAA P10253 1/20 0.37
AOC2 O75106 1/20 0.36
MAPT P10636 2/20 0.36
DGAT2 Q96PD7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN9A Q15858 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL21045472 0.90 MFN2 (0.68) MFN2EPHX1GAAMAPTKDM4E
SCHEMBL21082432 0.88 MFN2 (0.57) MFN2CHRM4CCR3EPHX1KDM4E
SCHEMBL22404839 0.86 MFN2 (0.65) MFN2CHRM4CCR3GABRA5AOC2
SCHEMBL22404819 0.81 MFN2 (0.45) MFN2EPHX1GAA
SCHEMBL20547943 0.80 MFN2 (0.46) MFN2EPHX1GAA
SCHEMBL22404823 0.79 MFN2 (0.43) MFN2EPHX1GAA
SCHEMBL21045564 0.78 MFN2 (0.45) MFN2EPHX1GAA
SCHEMBL20547946 0.78 MFN2 (0.69) MFN2EPHX1MEN1ALDH1A1KMT2A
SCHEMBL17117381 0.77 EPHX1 (0.57) CHRM4CCR3EPHX1GAAMEN1
SCHEMBL22315361 0.76 MFN2 (0.77) MFN2EPHX1MAPTMEN1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US claimed
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2020-09-10 US claimed
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US disclosed
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US disclosed
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2023-09-19 US disclosed
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-11-24 US disclosed
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2020-09-10 US disclosed
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2020-09-10 US disclosed
US-20190169138-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2019-06-06 US disclosed
WO-2018200323-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2018-11-01 WO 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 (4 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-20190169138-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 MFN2 1/4885CHRM4 4563/4885CCR3 4882/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 MFN2 1/4885CHRM4 4563/4885CCR3 4882/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 MFN2 1/4885CHRM4 4563/4885CCR3 4882/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 MFN2 1/4885CHRM4 4563/4885CCR3 4882/4885

“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.