SCHEMBL3867745

SCHEMBL3867745

NC(=O)C1(C(=O)OCCc2ccccc2)CCC(Cn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.52
▸ ALDH1A1 P00352 10/20 0.51
▸ NPSR1 Q6W5P4 5/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CA9 Q16790 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ TSHR P16473 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 1/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL3868598 0.84 ALDH1A1 (0.46) CA2ALDH1A1NPSR1TDP1L3MBTL1
SCHEMBL3867743 0.76 KMT2A (0.59) CA2ALDH1A1NPSR1TDP1L3MBTL1
SCHEMBL6520222 0.70 KMT2A (0.49) ALDH1A1TDP1MAPTLMNAKDM4E
SCHEMBL19079770 0.69 PDE4D (0.71) ALDH1A1NPSR1TDP1L3MBTL1MAPT
SCHEMBL19079707 0.67 PDE4D (0.74) ALDH1A1NPSR1TDP1L3MBTL1MAPT
SCHEMBL7693183 0.66 KCNH2 (0.45) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL24533634 0.66 TSHR (0.81) ALDH1A1NPSR1TDP1L3MBTL1MAPT
SCHEMBL3876121 0.66 CA2 (0.66) CA2ALDH1A1NPSR1TDP1L3MBTL1
SCHEMBL2354757 0.65 KMT2A (0.58) ALDH1A1NPSR1TDP1L3MBTL1MAPT
SCHEMBL15503867 0.64 USP2 (0.78) ALDH1A1NPSR1TDP1MAPTLMNA

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 7 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
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO claimed
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
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

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 CA2 138/4885ALDH1A1 4124/4885NPSR1 1021/4885

“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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