SCHEMBL21045265

SCHEMBL21045265

NC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
POLB P06746 7/20 1.00
HPGD P15428 7/20 1.00
MAPT P10636 5/20 1.00
KDM4E B2RXH2 5/20 1.00
HSD17B10 Q99714 5/20 1.00
TSHR P16473 5/20 1.00
USP2 O75604 4/20 1.00
ALOX15 P16050 4/20 1.00
THRB P10828 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
LMNA P02545 2/20 1.00
PTPN7 P35236 2/20 1.00
MCL1 Q07820 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
KMT2A Q03164 4/20 0.77
HTT P42858 3/20 0.77
MEN1 O00255 3/20 0.77
RAB9A P51151 1/20 0.77

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
SCHEMBL21082801 0.94 ALDH1A1 (0.88) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL13884886 0.92 ALDH1A1 (0.84) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045583 0.88 ALDH1A1 (0.79) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045485 0.87 ALDH1A1 (0.77) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045354 0.86 ALDH1A1 (0.75) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL20936264 0.85 ALDH1A1 (0.73) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045498 0.84 ALDH1A1 (0.72) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL25415344 0.82 ALDH1A1 (0.70) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL20936265 0.82 ALDH1A1 (0.70) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045488 0.82 ALDH1A1 (0.70) ALDH1A1POLBHPGDMAPTKDM4E

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 9 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 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-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
US-20190169138-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2019-06-06 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 (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 ALDH1A1 4127/4885POLB 2371/4885HPGD 1662/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 ALDH1A1 4127/4885POLB 2371/4885HPGD 1662/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 ALDH1A1 4127/4885POLB 2371/4885HPGD 1662/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 ALDH1A1 4127/4885POLB 2371/4885HPGD 1662/4885

“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.