SCHEMBL2469788

SCHEMBL2469788

CC(C)(C)C(=O)Nc1ccc(F)c(F)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.45
ABCC8 Q09428 5/20 0.45
KCNJ11 Q14654 5/20 0.45
KCNJ8 Q15842 5/20 0.45
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CETP P11597 1/20 0.38
NPY2R P49146 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36

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
SCHEMBL10252235 0.86 L3MBTL1 (0.42) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10248574 0.79 TSHR (0.46) ALDH1A1LMNAGAAKDM4EHDAC1
SCHEMBL2476256 0.76 EPHX2 (0.40) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL30937653 0.74 L3MBTL1 (0.44) ALDH1A1ALOX12LMNAGAAKDM4E
SCHEMBL14254883 0.73 HTT (0.55) ALDH1A1ALOX12LMNAGAAKDM4E
SCHEMBL14254877 0.73 HTT (0.60) ALDH1A1LMNAGAARAB9AMAPT
SCHEMBL29952711 0.72 L3MBTL1 (0.42) ALDH1A1ALOX12LMNAKDM4EL3MBTL1
SCHEMBL6644009 0.71 LTA4H (0.46) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL27508225 0.71 L3MBTL1 (0.44) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL30937617 0.71 ALDH1A1 (0.41) ALDH1A1ALOX12LMNAGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
EP-1858520-B1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK (US) 2010-10-14 US disclosed
US-20100210671-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-08-19 US disclosed
US-20100210671-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-08-19 US disclosed
US-20100210671-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-08-19 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
EP-2175725-A1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-04-21 EP disclosed
WO-2009009015-A1 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-01-15 WO disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 US disclosed
EP-1858520-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2007-11-28 EP disclosed
WO-2006098969-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 WO disclosed
WO-2006098969-A2 QUINAZOLINONE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2006-09-21 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 (3 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-20100261741-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H ABCC9 356/4885ABCC8 850/4885KCNJ11 54/4885
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H ABCC9 356/4885ABCC8 850/4885KCNJ11 54/4885
US-20100210671-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H ABCC9 356/4885ABCC8 850/4885KCNJ11 54/4885

“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.