SCHEMBL3871973

SCHEMBL3871973

NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccc(N4CCCCC4)cc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.76
▸ CA12 O43570 1/20 0.76
▸ ALDH1A1 P00352 8/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ CA1 P00915 3/20 0.59
▸ KDM4E B2RXH2 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ HPGD P15428 4/20 0.57
▸ CASP1 P29466 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ALOX15 P16050 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ HTT P42858 1/20 0.57

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
SCHEMBL3873519 0.79 CA2 (0.77) CA2CA12ALDH1A1SMN1; SMN2HPGD
SCHEMBL13401882 0.68 CYP3A4 (1.00) CA2CA12ALDH1A1SMN1; SMN2CA1
SCHEMBL15766059 0.64 CA2 (0.70) CA2ALDH1A1CA1LMNAMEN1
SCHEMBL13401878 0.64 CA1 (0.80) CA2CA12ALDH1A1CA1HSD17B10
SCHEMBL7039218 0.63 POLB (0.55) CA2CA12ALDH1A1CA1KDM4E
SCHEMBL19334443 0.61 CA1 (0.74) CA2CA12ALDH1A1CA1MAPT
SCHEMBL23122511 0.61 ASAH1 (0.55) SMN1; SMN2MAPTCASP1HSD17B10HTT
SCHEMBL15766188 0.61 CA2 (0.65) CA2ALDH1A1CA1HPGDLMNA
SCHEMBL23123625 0.60 ASAH1 (0.56) SMN1; SMN2MAPTCASP1HSD17B10HTT
SCHEMBL21382232 0.60 CNR1 (0.62) ALDH1A1SMN1; SMN2MAPTHSD17B10LMNA

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 CA2 138/4885CA12 2229/4885ALDH1A1 4124/4885

“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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