SCHEMBL3872687

SCHEMBL3872687

O=C(CCCCCn1c(SCc2ccccc2Cl)nc2ccsc2c1=O)NCCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.75
▸ MAPK1 P28482 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ RECQL P46063 3/20 0.59
▸ ALDH1A1 P00352 4/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TP53 P04637 4/20 0.54
▸ RXFP1 Q9HBX9 6/20 0.53
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 3/20 0.51
▸ THRB P10828 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL12713393 0.86 LMNA (1.00) LMNANPSR1RECQLALDH1A1SMN1; SMN2
SCHEMBL3873997 0.79 RXFP1 (0.66) LMNAMAPK1NPSR1RECQLALDH1A1
SCHEMBL12791470 0.79 RXFP1 (0.57) LMNAMAPK1NPSR1RECQLALDH1A1
SCHEMBL12713400 0.76 LMNA (0.81) LMNANPSR1RECQLALDH1A1MEN1
SCHEMBL12713409 0.73 LMNA (0.73) LMNARECQLALDH1A1SMN1; SMN2TP53
SCHEMBL3873519 0.70 CA2 (0.77) LMNAMAPK1RECQLALDH1A1SMN1; SMN2
SCHEMBL3866518 0.69 TP53 (0.70) LMNANPSR1RECQLALDH1A1MEN1
SCHEMBL12713395 0.69 LMNA (0.69) LMNAMAPK1NPSR1RECQLALDH1A1
SCHEMBL12713401 0.68 LMNA (0.57) LMNAMAPK1NPSR1RECQLALDH1A1
SCHEMBL12791418 0.66 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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 11 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-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 LMNA 2068/4885MAPK1 2981/4885NPSR1 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.

Send feedback