SCHEMBL23375830

SCHEMBL23375830

Brc1ccc2c(cnn2SI)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
KMO O15229 1/20 0.35
NOS1 P29475 2/20 0.34
METAP2 P50579 2/20 0.34
CSNK2A1 P68400 1/20 0.34
MCL1 Q07820 1/20 0.33
CYP2A6 P11509 1/20 0.32
ROCK1 Q13464 1/20 0.32
SLC6A2 P23975 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
BACE1 P56817 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPM1 P06748 1/20 0.30

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
SCHEMBL14765172 0.76 HDAC8 (0.39) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL13137284 0.73 HDAC8 (0.40) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL15798967 0.72 HDAC8 (0.39) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL29122807 0.72 KMO (0.41) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL11794 0.72 EGFR (0.46) HDAC8KMOMCL1ALDH1A1MAPT
SCHEMBL13306826 0.71 HDAC8 (0.38) HDAC8KMOCYP2A6MAPTKMT2A
SCHEMBL20176165 0.71 HDAC8 (0.39) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL13528 0.68 KMO (0.44) HDAC8KMOMCL1SLC6A2HTR2A
SCHEMBL23886616 0.68 HDAC8 (0.48) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL30928551 0.68 KMO (0.44) HDAC8KMOMCL1SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 US disclosed
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-06-03 US disclosed
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-05-20 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 (3 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-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 HDAC8 2278/4885KMO 358/4885NOS1 2187/4885
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 HDAC8 2278/4885KMO 358/4885NOS1 2187/4885
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 HDAC8 2039/4885KMO 387/4885NOS1 1897/4885

“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.