SCHEMBL22680320

SCHEMBL22680320

COc1ccc(-c2cc(C(C)(C)C)n3ncc(C(=O)NCCCn4ccnc4)c3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 7/20 0.61
HPGD P15428 3/20 0.61
TSHR P16473 4/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 3/20 0.53
TP53 P04637 1/20 0.53
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
GAA P10253 3/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 3/20 0.52
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NAMPT P43490 2/20 0.51
PRNP P04156 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL22680138 0.93 KDM4E (0.72) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680126 0.91 KDM4E (0.68) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680134 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680312 0.89 KDM4E (0.57) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680139 0.88 KDM4E (0.65) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680348 0.87 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680306 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680133 0.87 KDM4E (0.56) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680323 0.87 OPRK1 (0.60) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL22680351 0.84 KDM4E (0.69) ALDH1A1KDM4EHPGDTSHRMAPT

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-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 US disclosed
WO-2020232255-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-11-19 WO 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 (1 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-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS NLN, GLS, PRNP ALDH1A1 495/4885KDM4E 2500/4885HPGD 581/4885

“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.