SCHEMBL23657646

SCHEMBL23657646

COC(=O)C1CCc2cc3cc(-c4ccccc4)sc3c(=O)n21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 7/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
SLC6A2 P23975 1/20 0.36
ERCC5 P28715 1/20 0.36

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
SCHEMBL23657877 0.81 NPC1 (0.53) CNR2KMT2AKDM4EHTTNPC1
SCHEMBL1199646 0.69 KMT2A (0.44) KMT2ASLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL4511545 0.67 KMT2A (0.45) KMT2AKDM4ESLC6A4ALDH1A1MAPT
SCHEMBL3139107 0.64 KDM4E (0.41) CNR2KMT2AKDM4EHTTATM
SCHEMBL8677605 0.63 ALDH1A1 (0.61) CNR2KMT2AKDM4EHTTATM
SCHEMBL13628885 0.63 HPGD (0.43) KMT2AKDM4ESLC6A4ALDH1A1HPGD
SCHEMBL631143 0.62 KMT2A (0.50) CNR2KMT2ASLC6A4ALDH1A1MEN1
SCHEMBL766149 0.62 KMT2A (0.50) CNR2KMT2ASLC6A4ALDH1A1MEN1
SCHEMBL24434739 0.62 KMT2A (0.50) CNR2KMT2ASLC6A4ALDH1A1MEN1
SCHEMBL9409696 0.61 KDM4E (0.48) CNR2KMT2AKDM4EHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 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 (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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA CNR2 105/4885KMT2A 503/4885KDM4E 1784/4885

“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.