SCHEMBL21045253

SCHEMBL21045253

CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1C1CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
POLB P06746 8/20 0.62
HPGD P15428 6/20 0.62
MAPT P10636 6/20 0.62
KDM4E B2RXH2 6/20 0.62
HSD17B10 Q99714 5/20 0.62
ALOX15 P16050 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
PTPN7 P35236 2/20 0.62
MCL1 Q07820 2/20 0.62
RECQL P46063 2/20 0.62
CTDSP1 Q9GZU7 2/20 0.62
GAA P10253 1/20 0.62
BLM P54132 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL21045558 0.98 ALDH1A1 (0.60) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045457 0.89 ALDH1A1 (0.69) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045517 0.87 POLB (0.58) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL20936235 0.87 ALDH1A1 (0.65) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL20936263 0.85 SMN1; SMN2 (0.58) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045364 0.85 ALDH1A1 (0.63) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045565 0.85 ALDH1A1 (0.58) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL20936265 0.83 ALDH1A1 (0.70) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL21045587 0.82 RORC (0.66) ALDH1A1HPGDMAPTHSD17B10ALOX15
SCHEMBL21045566 0.81 ALDH1A1 (0.68) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.