SCHEMBL17898549

SCHEMBL17898549

O=C1NC(=O)C(CC(=O)C2CCCCC2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 3/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.35
CCR2 P41597 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
TDO2 P48775 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL16663985 0.72 MAPT (0.48) IDO1ALDH1A1KMT2ACES2CES1
SCHEMBL17898554 0.71 IDO1 (0.35) IDO1ALDH1A1CES2CES1TDO2
SCHEMBL21292118 0.69 MMP1 (0.41) ALDH1A1KMT2AHSD17B10TSHRMAPT
SCHEMBL3910270 0.68 HPGD (0.40) ALDH1A1KMT2AHSD17B10LMNAKDM4E
SCHEMBL5012650 0.68 CES2 (0.48) IDO1ALDH1A1KMT2ACES2CES1
SCHEMBL7646486 0.66 HSD17B10 (0.37) ALDH1A1HSD17B10LMNAKDM4ETSHR
SCHEMBL14747461 0.65 CES2 (0.50) ALDH1A1KMT2AHSD17B10CES2CES1
SCHEMBL21597996 0.64 GAA (0.67) ALDH1A1KMT2AHSD17B10LMNATSHR
SCHEMBL28425729 0.64 CES2 (0.55) ALDH1A1HSD17B10CES2CES1KDM4E
SCHEMBL29333109 0.64 CES2 (0.55) ALDH1A1HSD17B10CES2CES1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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 (2 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-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A IDO1 2465/4885ALDH1A1 1391/4885KMT2A 1796/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A IDO1 2465/4885ALDH1A1 1391/4885KMT2A 1796/4885

“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.