SCHEMBL21045544

SCHEMBL21045544

C=CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.74
HPGD P15428 6/20 0.74
HSD17B10 Q99714 4/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
MAPT P10636 7/20 0.61
POLB P06746 6/20 0.61
KDM4E B2RXH2 6/20 0.61
LMNA P02545 5/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
TSHR P16473 4/20 0.61
USP2 O75604 3/20 0.61
ALOX15 P16050 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
THRB P10828 2/20 0.61
PTPN7 P35236 2/20 0.61
MCL1 Q07820 2/20 0.61
HTT P42858 3/20 0.58
CASP7 P55210 1/20 0.58
KMT2A Q03164 4/20 0.58
RAB9A P51151 3/20 0.58

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
SCHEMBL21082436 0.94 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL21045548 0.86 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL11920013 0.85 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL8290848 0.84 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL21045485 0.83 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL8289651 0.82 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL21045441 0.82 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL22692837 0.82 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL20936263 0.81 SMN1; SMN2 (0.58) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT
SCHEMBL21045517 0.81 POLB (0.58) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPT

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 4127/4885HPGD 1662/4885HSD17B10 1404/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 ALDH1A1 4127/4885HPGD 1662/4885HSD17B10 1404/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 ALDH1A1 4127/4885HPGD 1662/4885HSD17B10 1404/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 ALDH1A1 4127/4885HPGD 1662/4885HSD17B10 1404/4885

“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.