SCHEMBL21045577

SCHEMBL21045577

CC(SCc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CASP3 P42574 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
FLT3 P36888 5/20 0.61
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 3/20 0.53
LMNA P02545 2/20 0.53
MAPK10 P53779 1/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 3/20 0.53
ESR1 P03372 1/20 0.53
TP53 P04637 1/20 0.53
ESR2 Q92731 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL20936275 0.79 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL20936196 0.79 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL26740291 0.79 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL20936277 0.77 ALDH1A1 (0.58) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL26740021 0.77 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL21082526 0.77 FLT3 (0.60) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5453337 0.77 RAB9A (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL21045428 0.76 FLT3 (0.95) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL26742094 0.76 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5453222 0.76 FLT3 (1.00) NPC1RAB9AMEN1KMT2AFLT3

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 8 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-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 NPC1 1003/4885RAB9A 423/4885MEN1 1908/4885
US-11760733-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 NPC1 1003/4885RAB9A 423/4885MEN1 1908/4885
US-20200281899-A1 SMALL MOLECULE REGULATORS OF MITOCHONDRIAL FUSION AND METHODS OF USE THEREOF MFN2, FIS1, RHOT2 NPC1 1003/4885RAB9A 423/4885MEN1 1908/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 NPC1 1003/4885RAB9A 423/4885MEN1 1908/4885

“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.