SCHEMBL552591

SCHEMBL552591

CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL555706 0.81 L3MBTL1 (0.33) L3MBTL1
SCHEMBL553062 0.81 L3MBTL1 (0.33) L3MBTL1
SCHEMBL554518 0.81 L3MBTL1 (0.33) L3MBTL1
SCHEMBL553105 0.78
SCHEMBL553106 0.78 L3MBTL1 (0.32) L3MBTL1
SCHEMBL13016456 0.75 ADORA3 (0.32)
SCHEMBL12118168 0.75 L3MBTL1 (0.39) L3MBTL1
SCHEMBL552815 0.75
SCHEMBL553531 0.75 L3MBTL1 (0.30) L3MBTL1
SCHEMBL552263 0.73 CNR1 (0.31)

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371821-B1 Volatile imidazoles and group 2 imidazole based metal precursors AIR PROD & CHEM (US) 2014-06-18 EP claimed
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-09 US claimed
EP-2371821-A1 Volatile imidazoles and group 2 imidazole based metal precursors Air Products and Chemicals, Inc. (US) 2011-10-05 EP claimed
CN-108570657-A container with filter 弗萨姆材料美国有限责任公司 2018-09-25 CN disclosed
EP-2580223-B1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PROD & CHEM (US) 2017-02-08 EP disclosed
EP-2644284-B1 Group 2 imidazolate formulations for direct liquid injection AIR PROD & CHEM (US) 2015-06-03 EP disclosed
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8865755-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-21 US disclosed
US-20140242795-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-08-28 US disclosed
EP-2371821-B1 Volatile imidazoles and group 2 imidazole based metal precursors AIR PROD & CHEM (US) 2014-06-18 EP disclosed
US-8703103-B2 Volatile imidazoles and group 2 imidazole based metal precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-04-22 US disclosed
US-20120214849-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-08-23 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-09 US disclosed
US-8080572-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-12-20 US disclosed
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 WO disclosed
EP-2371821-A1 Volatile imidazoles and group 2 imidazole based metal precursors Air Products and Chemicals, Inc. (US) 2011-10-05 EP disclosed
US-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-09-22 US disclosed
US-7863309-B2 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents THERAVANCE, INC. (US) 2011-01-04 US disclosed
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents THERAVANCE BIOPHARMA R&D IP, LLC 2010-01-28 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 (5 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-20110230525-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 L3MBTL1 4295/4885
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors CACNG5, BST2, API5 L3MBTL1 2582/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM L3MBTL1 2147/4885
US-20100022599-A1 imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents AGTR1, REN, AGTR2 L3MBTL1 1229/4885
US-20120214849-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 L3MBTL1 4295/4885

“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.