SCHEMBL21045596

SCHEMBL21045596

O=C(CSc1nnc2n1CCCCC2)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.67
MGAM O43451 3/20 0.54
AMY1A P0DUB6 1/20 0.53
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTK2B Q14289 1/20 0.51
LMNA P02545 3/20 0.49
ALOX15 P16050 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL21045486 0.83 ALDH1A1 (0.61) GAATSHRNPSR1ALDH1A1KDM4E
SCHEMBL21045522 0.82 ALDH1A1 (0.62) GAATSHRNPSR1ALDH1A1KDM4E
SCHEMBL21045532 0.81 RORC (0.70) RORCMGAMAMY1AGAATSHR
SCHEMBL23850689 0.80 RORC (1.00) RORCMGAMAMY1AGAATSHR
SCHEMBL21045587 0.80 RORC (0.66) RORCMGAMAMY1AGAATSHR
SCHEMBL21045416 0.80 RORC (0.68) RORCGAATSHRNPSR1ALDH1A1
SCHEMBL23850641 0.79 RORC (1.00) RORCMGAMAMY1AGAATSHR
SCHEMBL6248317 0.76 RORC (0.73) RORCMGAMAMY1AALDH1A1KDM4E
SCHEMBL23850167 0.75 RORC (1.00) RORCMGAMAMY1AGAATSHR
SCHEMBL23851337 0.74 RORC (1.00) RORCMGAMAMY1AALDH1A1KDM4E

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 RORC 2876/4885MGAM 3879/4885AMY1A 3985/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 RORC 2876/4885MGAM 3879/4885AMY1A 3985/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 RORC 2876/4885MGAM 3879/4885AMY1A 3985/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 RORC 2876/4885MGAM 3879/4885AMY1A 3985/4885

“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.