SCHEMBL3869028

SCHEMBL3869028

CC(C)(C)c1ccc(Cn2c(=O)n(CC3CCC(C(=O)NCc4ccccc4)CC3)c(=O)c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.67
▸ TNKS2 Q9H2K2 3/20 0.67
▸ LMNA P02545 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MAPT P10636 4/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ TP53 P04637 5/20 0.55
▸ GAA P10253 1/20 0.53
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ MELK Q14680 1/20 0.46

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
SCHEMBL12549629 0.80 TNKS (1.00) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL12791230 0.79 LMNA (0.72) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL6520217 0.78 KMT2A (0.71) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL15462269 0.77 TNKS (0.61) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL12549503 0.77 TNKS (0.59) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL24031096 0.76 HDAC1 (0.76) TP53HDAC1HDAC11HDAC8HDAC6
SCHEMBL6520182 0.75 POLB (0.69) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL12791473 0.73 MEN1 (0.55) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL11960890 0.72 MAPK10 (0.63) TNKSTNKS2LMNAPOLBKDM4E
SCHEMBL11961159 0.70 TSHR (0.61) TNKSTNKS2LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US claimed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — 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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B TNKS 1156/4885TNKS2 1020/4885LMNA 2068/4885

“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.

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