SCHEMBL4019852

SCHEMBL4019852

CCN(C(=O)Cn1nc(C(=O)C(C)(C)C)c2ccc(OC)cc21)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
DYRK1A Q13627 4/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
CNR2 P34972 1/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32

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
SCHEMBL13844071 0.88 ALDH1A1 (0.37) L3MBTL1RAB9AMEN1KMT2AALDH1A1
SCHEMBL13848560 0.87 CFD (0.33) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL13844056 0.86 ELANE (0.39) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4696696 0.79 MTNR1A (0.40) L3MBTL1RAB9AALDH1A1MAPTNPC1
SCHEMBL4011371 0.79 CFD (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6047777 0.77 L3MBTL1 (0.40) L3MBTL1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4019677 0.77 TSPO (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5199093 0.77 TSPO (0.52) L3MBTL1DYRK1A
SCHEMBL13844122 0.77 ALDH1A1 (0.44) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL4015275 0.77 CNR2 (0.39) RAB9AALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
EP-1581503-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2007-07-25 EP disclosed
US-20060020000-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-01-26 US disclosed
EP-1581503-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004043354-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 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 (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-20060020000-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 L3MBTL1 4820/4885RAB9A 1961/4885MEN1 754/4885

“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.