SCHEMBL2186903

SCHEMBL2186903

CC(C)NC(=O)c1cccc(NCc2ccc(Cl)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.59
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HDAC1 Q13547 1/20 0.49
PRKD1 Q15139 1/20 0.48
HPGD P15428 1/20 0.48
SCD O00767 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
HDAC8 Q9BY41 3/20 0.46
HDAC11 Q96DB2 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2189778 0.88 HDAC8 (0.58) PPARAHDAC8HDAC11
SCHEMBL11936085 0.82 NAMPT (0.46) PPARAPRKD1LMNAALDH1A1CYP1A2
SCHEMBL2188996 0.81 PPARA (0.79) PPARAMEN1KMT2AALDH1A1
SCHEMBL11935296 0.80 NAMPT (0.44) PPARAPRKD1LMNAALDH1A1CYP1A2
SCHEMBL2773071 0.80 PPARA (0.59) PPARAMEN1MAPTKMT2AKDM4E
SCHEMBL10294809 0.79 NPSR1 (0.54) MAPTKMT2AHPGDLMNAALDH1A1
SCHEMBL2185832 0.79 PPARA (0.58) PPARAMEN1MAPTKMT2AHDAC1
SCHEMBL2187378 0.79 PPARA (0.49) PPARAMEN1MAPTKMT2AHDAC1
SCHEMBL28715069 0.78 KDM4E (0.53) MEN1MAPTKMT2AKDM4EHPGD
SCHEMBL3376258 0.76 PPARA (0.55) PPARAMEN1MAPTKMT2AALDH1A1

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 4205/4885MEN1 608/4885MAPT 2884/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 PPARA 1367/4885MEN1 2747/4885MAPT 4874/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 PPARA 4205/4885MEN1 608/4885MAPT 2884/4885

“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.