SCHEMBL17468533

SCHEMBL17468533

Cc1nc2ccc(C(=O)NCCCO)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
HSP90AA1 P07900 1/20 0.58
ESR2 Q92731 1/20 0.58
POLB P06746 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
CASP6 P55212 1/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FLT3 P36888 1/20 0.48

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
SCHEMBL20683080 0.84 KDM4E (0.49) TDP1POLBALDH1A1HPGDMEN1
SCHEMBL13290583 0.82 HPGD (0.53) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL12430882 0.79 HSP90AA1 (0.69) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL16067278 0.78 POLB (0.47) POLBALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4875930 0.78 POLB (0.64) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL30265129 0.76 HTT (0.69) TDP1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL27074031 0.76 HSP90AA1 (0.64) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL8265255 0.76 BRD4 (0.42) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL6170531 0.75 RAB9A (0.64) TDP1HSP90AA1ESR2POLBALDH1A1
SCHEMBL20982653 0.75 CHEK2 (0.61) ALDH1A1HPGDKDM4EHSD17B10FLT3

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
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 TDP1 416/4885HSP90AA1 417/4885ESR2 1461/4885

“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.