SCHEMBL2187378

SCHEMBL2187378

CC(C)NC(=O)c1cc(NCc2ccc(Cl)cc2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
HDAC1 Q13547 1/20 0.48
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MAPT P10636 2/20 0.46
FFAR1 O14842 1/20 0.45
KCNA3 P22001 1/20 0.44
NAMPT P43490 1/20 0.43
CNR1 P21554 1/20 0.43
STING1 Q86WV6 1/20 0.43
SCD O00767 1/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2188257 0.89 HIF1A (0.50) PPARAHDAC1MAPTFFAR1NAMPT
SCHEMBL2188031 0.89 HIF1A (0.50) PPARAHDAC1MAPTFFAR1NAMPT
SCHEMBL2186694 0.79 EGFR (0.50) PPARAHDAC1MAPTFFAR1STING1
SCHEMBL2186903 0.79 PPARA (0.59) PPARAHDAC1MAPTSCDMEN1
SCHEMBL2188951 0.76 HIF1A (0.44) PPARAFFAR1NAMPTFNTAFNTB
SCHEMBL11250263 0.74 MAPT (0.57) PPARAHDAC1MAPTFFAR1RAB9A
SCHEMBL15668111 0.73 EGFR (0.67) PPARAHDAC1MAPTFFAR1STING1
SCHEMBL25762484 0.72 TRPA1 (0.56) KCNA3CNR1RAB9AMEN1KMT2A
SCHEMBL11242577 0.72 FFAR1 (0.50) PPARAHDAC1MAPTFFAR1STING1
SCHEMBL7137660 0.72 CES2 (0.55) KCNA3RAB9AGAAANO1

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 PPARA 4205/4885HDAC1 668/4885CDK5 3362/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 PPARA 1367/4885HDAC1 824/4885CDK5 2479/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 PPARA 4205/4885HDAC1 668/4885CDK5 3362/4885

“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.