SCHEMBL1243213

SCHEMBL1243213

O=C(COCc1ccccc1)NC(c1cccnc1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ADAMTS5 Q9UNA0 2/20 0.44
EPHX2 P34913 2/20 0.44
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNA5 P22460 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
GPR132 Q9UNW8 2/20 0.41
HSD11B1 P28845 1/20 0.40
CSNK1D P48730 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1243478 0.84 EPHX2 (0.54) LMNASMN1; SMN2HPGDHTTEPHX2
SCHEMBL1242417 0.81 CYP1A2 (0.56) LMNASMN1; SMN2HPGDHTTEPHX2
SCHEMBL1242912 0.80 KCNA5 (0.53) LMNASMN1; SMN2HPGDHTTEPHX2
SCHEMBL1242306 0.79 TBXAS1 (0.51) KCNA5
SCHEMBL1242927 0.77 KCNA5 (0.46) LMNASMN1; SMN2HPGDHTTEPHX2
SCHEMBL1242054 0.77 KCNA5 (0.46) LMNASMN1; SMN2HPGDHTTEPHX2
SCHEMBL1243252 0.76 SMN1; SMN2 (0.47) LMNASMN1; SMN2HPGDHTTEPHX2
SCHEMBL1243519 0.75 POLB (0.50) LMNASMN1; SMN2HTTEPHX2KMT2A
SCHEMBL1375778 0.75 TP53 (0.51) LMNASMN1; SMN2HTTKMT2ATDP1
SCHEMBL1243223 0.74 LMNA (0.53) LMNASMN1; SMN2HPGDHTTEPHX2

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 LMNA 815/4885SMN1; SMN2 4477/4885HPGD 3730/4885

“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.