SCHEMBL21045595

SCHEMBL21045595

CC(Sc1nnc2n1CCCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
HPGD P15428 8/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 4/20 0.47
FLT3 P36888 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 3/20 0.47
ANO1 Q5XXA6 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
PTPN7 P35236 1/20 0.45

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
SCHEMBL21045522 0.81 ALDH1A1 (0.62) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL22404674 0.81 KDM4E (0.37) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21045486 0.80 ALDH1A1 (0.61) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL26740017 0.80 ALDH1A1 (0.45) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL21045523 0.78 ALDH1A1 (0.52) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL22692871 0.78 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL20936252 0.76 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL26740034 0.76 ALDH1A1 (0.55) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL20548011 0.75 ALDH1A1 (0.58) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL21082571 0.75 ALDH1A1 (0.56) ALDH1A1HPGDRAB9ANPC1MAPT

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 1662/4885RAB9A 423/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 ALDH1A1 4127/4885HPGD 1662/4885RAB9A 423/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 ALDH1A1 4127/4885HPGD 1662/4885RAB9A 423/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 ALDH1A1 4127/4885HPGD 1662/4885RAB9A 423/4885

“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.