SCHEMBL1243478

SCHEMBL1243478

O=C(Cc1ccccc1)NC(c1cccnc1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
CNR2 P34972 4/20 0.54
ECE1 P42892 1/20 0.51
ITGB3 P05106 3/20 0.50
ITGAV P06756 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
KDM6B O15054 1/20 0.45
KDM4D Q6B0I6 1/20 0.45

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
SCHEMBL1242417 0.87 CYP1A2 (0.56) EPHX2LMNAHPGDHTTSMN1; SMN2
SCHEMBL4022986 0.86 EPHX2 (0.51) EPHX2CNR2ECE1ITGB3ITGAV
SCHEMBL1242912 0.85 KCNA5 (0.53) EPHX2LMNAHPGDHTTSMN1; SMN2
SCHEMBL1242306 0.84 TBXAS1 (0.51) CYP1A2CYP3A4CYP2C9
SCHEMBL1243213 0.84 LMNA (0.45) EPHX2LMNAHPGDHTTSMN1; SMN2
SCHEMBL1243252 0.81 SMN1; SMN2 (0.47) EPHX2LMNAHPGDHTTSMN1; SMN2
SCHEMBL14037327 0.80 ITGB3 (0.57) EPHX2CNR2ECE1ITGB3ITGAV
SCHEMBL6638460 0.80 ITGB3 (0.57) EPHX2CNR2ECE1ITGB3ITGAV
Ammonia Solution, Strong SCHEMBL4022994 0.79 ITGB3 (0.56) EPHX2CNR2ECE1ITGB3ITGAV
Ammonia Solution, Strong SCHEMBL27572931 0.79 ITGB3 (0.56) EPHX2CNR2ECE1ITGB3ITGAV

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 EPHX2 3824/4885CNR2 2350/4885ECE1 1447/4885

“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.