SCHEMBL1243680

SCHEMBL1243680

O=C(Nc1ccccc1)NC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.47
CYP2C9 P11712 2/20 0.47
CNR1 P21554 1/20 0.45
FPR2 P25090 6/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
P2RX4 Q99571 1/20 0.44
LRRK2 Q5S007 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
F7 P08709 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SORT1 Q99523 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1242315 0.87 NAMPT (0.43) NAMPTCYP2C9FPR2KMT2AMEN1
SCHEMBL1243154 0.87 MEN1 (0.48) NAMPTCYP2C9FPR2KMT2AMEN1
SCHEMBL1242404 0.87 MEN1 (0.45) NAMPTKMT2AKDM4EMEN1MAPK1
SCHEMBL1242890 0.85 NAMPT (0.45) NAMPTCYP2C9CNR1FPR2KMT2A
SCHEMBL1243688 0.85 KCNA5 (0.45) CYP2C9KMT2AKDM4EMEN1MAPK1
SCHEMBL1243521 0.80 L3MBTL1 (0.44) NAMPTCYP3A4
SCHEMBL1242372 0.78 ALDH1A1 (0.50) CYP2C9FPR2KMT2AMEN1POLB
SCHEMBL13585022 0.75 KCNA5 (0.44) CYP2C9KMT2APOLBLRRK2CYP3A4
SCHEMBL13585019 0.75 KCNA5 (0.44) CYP2C9KMT2APOLBLRRK2CYP3A4
SCHEMBL1242914 0.75 KCNA5 (0.41) CYP2C9KMT2AKDM4EHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US 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 (1 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 NAMPT 1389/4885CYP2C9 2201/4885CNR1 2404/4885

“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.