SCHEMBL21665488

SCHEMBL21665488

c1ccc(-c2cccc(-c3cccc(Nc4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
AKR1C3 P42330 1/20 0.40
SYK P43405 3/20 0.38
MGLL Q99685 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
PDK2 Q15119 3/20 0.35
EPHX2 P34913 1/20 0.35
STK10 O94804 1/20 0.35
SLK Q9H2G2 1/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL15250350 0.99 SIRT2 (0.46) SIRT2SIRT1AKR1C3SYKMGLL
SCHEMBL21665630 0.97 SIRT2 (0.45) SIRT2SIRT1AKR1C3SYKMGLL
SCHEMBL19494833 0.93 SIRT2 (0.37) SIRT2SIRT1AKR1C3SYKMGLL
SCHEMBL17740521 0.90 SIRT2 (0.44) SIRT2SIRT1AKR1C3SYKMGLL
SCHEMBL21665679 0.89 MET (0.39) SIRT2SIRT1AKR1C3PDK2STK10
SCHEMBL29839680 0.87 AKR1C3 (0.39) SIRT2SIRT1AKR1C3PDK2STK10
SCHEMBL14681538 0.87 AKR1C3 (0.39) SIRT2SIRT1AKR1C3PDK2STK10
SCHEMBL15250356 0.87 MEN1 (0.46) PDK2MEN1MAPTKMT2AKDM4E
SCHEMBL20434444 0.85 AKR1C3 (0.40) SIRT2SIRT1AKR1C3PDK2STK10
SCHEMBL21665696 0.85 PDK2 (0.37) SIRT2SIRT1PDK2MEN1MAPT

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-20200039993-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD (KR) 2020-02-06 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 (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-20200039993-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE1, WEE2 SIRT2 2497/4885SIRT1 2550/4885AKR1C3 3983/4885

“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.