SCHEMBL21082452

SCHEMBL21082452

Fc1ccc(-n2cnnc2C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 1/20 0.35
MAPK14 Q16539 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MCHR1 Q99705 1/20 0.32
IDO1 P14902 1/20 0.32
DRD2 P14416 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL16845861 0.89 KCNH2 (0.44) LGALS3MAPK14KCNH2
Hydrochloric Acid SCHEMBL16827934 0.88 KCNH2 (0.43) LGALS3MAPK14KCNH2
SCHEMBL25835836 0.83 EP300 (0.40) LGALS3HCAR1CYP11B2NOTUMMAPT
SCHEMBL21082562 0.82 HTT (0.39) ALDH1A1
SCHEMBL26135140 0.76 RAB9A (0.39) ALDH1A1NPSR1
SCHEMBL16827667 0.76 PDK2 (0.53)
SCHEMBL16827664 0.74 RORC (0.37) MAPK14ALDH1A1MAPTDRD2
SCHEMBL28143054 0.72 ICMT (0.43) NOTUMPTGS1PTGS2MCHR1KCNH2
SCHEMBL21597614 0.71 NPC1 (0.41) HCAR1CYP11B2ALDH1A1NOTUMMAPT
SCHEMBL4629721 0.70 MCHR1 (0.38) MAPK14SCN9APTGS1PTGS2MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof WASHINGTON UNIVERSITY (US) 2020-11-24 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 (2 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 LGALS3 4401/4885MAPK14 1618/4885HCAR1 3830/4885
US-10844023-B2 Small molecule regulators of mitochondrial fusion and methods of use thereof MFN2, FIS1, RHOT2 LGALS3 4401/4885MAPK14 1618/4885HCAR1 3830/4885

“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.