SCHEMBL3866518

SCHEMBL3866518

Cc1ccc(CNC(=O)CCCCCn2c(SCC(=O)c3ccc(Cl)cc3)nc3ccsc3c2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.70
▸ RXFP1 Q9HBX9 4/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MAPT P10636 3/20 0.56
▸ POLB P06746 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ NSD2 O96028 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ TSHR P16473 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ RECQL P46063 3/20 0.53
▸ GAA P10253 1/20 0.53

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
SCHEMBL13024525 0.72 POLB (1.00) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL24209799 0.72 RXFP1 (0.82) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL5425979 0.71 TP53 (0.65) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL3872687 0.69 LMNA (0.75) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL3868831 0.69 GAA (0.91) TP53LMNAMAPTPOLBKDM4E
SCHEMBL7016121 0.66 SMN1; SMN2 (0.69) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL12713395 0.66 LMNA (0.69) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL12713401 0.66 LMNA (0.57) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL12713400 0.65 LMNA (0.81) TP53RXFP1SMN1; SMN2LMNAMAPT
SCHEMBL12713391 0.63 LMNA (0.64) TP53RXFP1SMN1; SMN2LMNAMAPT

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 8 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
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 TP53 4525/4885RXFP1 1755/4885SMN1; SMN2 1542/4885

“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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