SCHEMBL3533289

SCHEMBL3533289

CCOC(=O)CCc1nc2ccccc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 1.00
HSD17B10 Q99714 9/20 1.00
ALDH1A1 P00352 6/20 1.00
LMNA P02545 1/20 1.00
HPGD P15428 4/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2C19 P33261 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.77
MAPT P10636 6/20 0.70
HTT P42858 1/20 0.70
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
MAPK1 P28482 1/20 0.64
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.57
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56

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
SCHEMBL15383503 0.91 KDM4E (0.84) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL28449192 0.83 KDM4E (0.71) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL944969 0.83 MAPT (1.00) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL13803708 0.82 HPGD (0.74) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL1128908 0.81 KDM4E (0.71) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL11363687 0.80 KDM4E (0.67) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL12047247 0.79 KDM4E (0.72) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL30868868 0.79 KDM4E (0.76) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL3532448 0.77 KDM4E (0.70) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL5395748 0.77 MAPT (0.83) KDM4EHSD17B10ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997230-B Quinoxaline derivative with matrix metalloproteinase inhibitory activity, preparation method and application thereof 山东大学 2020-08-04 CN disclosed
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer TOPOTARGET UK LIMITED (GB) 2006-04-13 US disclosed
EP-1599449-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-11-30 EP disclosed
WO-2004076386-A2 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-09-10 WO 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-20060079528-A1 (E)-3-(1,3-Benzoxazol-2-yl)-N-hydroxy-2-propenamide; Methyl (E)-3-(2-quinolinyl)-2-propenoate; histone deacetylase inhibitors; inflammatory disease; cancer HDAC1, HDAC11, HDAC5 KDM4E 35/4885HSD17B10 668/4885ALDH1A1 1467/4885
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 KDM4E 72/4885HSD17B10 970/4885ALDH1A1 1740/4885

“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.