SCHEMBL2188257

SCHEMBL2188257

CC(C)NC(=O)c1cc(NCc2ccccc2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.50
PPARA Q07869 2/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49
POLB P06746 1/20 0.48
NAMPT P43490 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
FFAR1 O14842 4/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PSMB5 P28074 2/20 0.43
EGFR P00533 1/20 0.43
STING1 Q86WV6 1/20 0.43
SYK P43405 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2188031 1.00 HIF1A (0.50) HIF1APPARAFNTAFNTBPGGT1B
SCHEMBL2187378 0.89 PPARA (0.49) PPARAFNTAFNTBPGGT1BPOLB
SCHEMBL2188951 0.86 HIF1A (0.44) HIF1APPARAFNTAFNTBPGGT1B
SCHEMBL2189778 0.77 HDAC8 (0.58) HIF1APPARACA1CA2FFAR1
SCHEMBL1813098 0.73 PPARA (0.52) HIF1APPARACA1CA2FFAR1
SCHEMBL7137660 0.73 CES2 (0.55) PSMB5
SCHEMBL1403639 0.72 CA1 (0.66) HIF1ACA1CA2FFAR1EGFR
SCHEMBL3377192 0.72 GAA (0.63) POLBLMNATP53MAPT
SCHEMBL11513455 0.72 MEN1 (0.66) CA1CA2FFAR1MAPT
SCHEMBL1403591 0.71 KDM4E (0.59) HIF1APPARACA1CA2FFAR1

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 3449/4885PPARA 4205/4885FNTA 4206/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 HIF1A 4014/4885PPARA 1367/4885FNTA 4055/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 HIF1A 3449/4885PPARA 4205/4885FNTA 4206/4885

“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.