SCHEMBL20683080

SCHEMBL20683080

CC(C)c1nc2ccc(C(=O)NCCCO)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL17468533 0.84 TDP1 (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL18237000 0.81 HDAC6 (0.65) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18785691 0.76 MLKL (0.68) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4249669 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL20683048 0.75 CHEK2 (0.57) MLKL
SCHEMBL20683081 0.75 SCN10A (0.50) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL30265129 0.74 HTT (0.69) HTTPOLBCASP6KMT2ATDP1
SCHEMBL16067278 0.73 POLB (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL20982653 0.72 CHEK2 (0.61) KDM4EALDH1A1HPGDHSD17B10HDAC3
SCHEMBL27332257 0.71 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10HTT

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-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2019-01-29 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-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders NQO1, COQ8A, NDUFAB1 KDM4E 2885/4885ALDH1A1 605/4885HPGD 217/4885

“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.