SCHEMBL2190706

SCHEMBL2190706

CC(C)(C)OC(=O)c1cccc(NCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.55
SLC7A5 Q01650 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
FFAR1 O14842 2/20 0.52
HDAC8 Q9BY41 2/20 0.51
HDAC11 Q96DB2 1/20 0.51
PPARA Q07869 3/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
SENP1 Q9P0U3 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
EGFR P00533 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL13662621 0.91 PPARA (0.49) HIF1ASLC7A5CA1CA2FFAR1
SCHEMBL13641732 0.90 MEN1 (0.52) HIF1ASLC7A5FFAR1PPARARAB9A
SCHEMBL13605111 0.88 CA1 (0.57) HIF1ASLC7A5CA1CA2FFAR1
SCHEMBL17604932 0.88 PPARA (0.61) PPARAABCB1ABCG2
SCHEMBL2185832 0.88 PPARA (0.58) SLC7A5FFAR1PPARARAB9AALDH1A1
SCHEMBL12012941 0.87 PPARA (0.63) HIF1AFFAR1PPARARAB9AALDH1A1
SCHEMBL1711035 0.85 CA1 (0.73) HIF1ACA1CA2FFAR1PPARA
SCHEMBL15876086 0.84 HIF1A (0.58) HIF1ASLC7A5CA1CA2HDAC8
SCHEMBL2188951 0.84 HIF1A (0.44) HIF1ASLC7A5CA1CA2FFAR1
SCHEMBL7504783 0.83 ALDH1A1 (0.49) SLC7A5RAB9AABCB1ABCG2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 HIF1A 3449/4885SLC7A5 1147/4885CA1 1959/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 HIF1A 4014/4885SLC7A5 309/4885CA1 3645/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 HIF1A 3449/4885SLC7A5 1147/4885CA1 1959/4885

“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.