Sugi Predict

Sugi Predict / Compounds / SCHEMBL1242275

SCHEMBL1242275

SCHEMBL1242275

O=C(S)CC1CCN([C@H](c2cccc(Br)c2)C(c2cccnc2)c2cccnc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ KCNA5 P22460 2/20 0.39
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MBTD1 Q05BQ5 1/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.34
▸ SLC6A9 P48067 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL1242276 0.87 LMNA (0.37) LMNATHRBKCNA5ITGB3ITGAV
SCHEMBL1242278 0.87 LMNA (0.37) LMNATHRBKCNA5ITGB3ITGAV
SCHEMBL1242224 0.83 MBTD1 (0.39) LMNATHRBKCNA5ALDH1A1MBTD1
SCHEMBL1242820 0.78 LMNA (0.40) LMNATHRBKCNA5ALDH1A1KDM4E
SCHEMBL1376909 0.77 LMNA (0.38) LMNATHRBKCNA5ALDH1A1KDM4E
SCHEMBL1376910 0.77 LMNA (0.38) LMNATHRBKCNA5ALDH1A1KDM4E
SCHEMBL1243604 0.71 LMNA (0.36) LMNATHRBKCNA5ALDH1A1KDM4E
SCHEMBL1240825 0.70 LMNA (0.39) LMNATHRBKCNA5ALDH1A1HTT
SCHEMBL1242226 0.68 KCNA5 (0.45) LMNATHRBKCNA5ALDH1A1KDM4E
SCHEMBL1243207 0.65 POLB (0.50) THRBKCNA5ALDH1A1KDM4EMAPT

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 5 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 claimed
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 claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 — — US claimed
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 815/4885THRB 1940/4885KCNA5 11/4885

“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.