SCHEMBL3874256

SCHEMBL3874256

O=C(CSc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2c(=O)n1Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.57
▸ LMNA P02545 5/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAPT P10636 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL3869026 0.90 CYP2C9 (0.72) CYP2C9LMNATP53ALDH1A1MEN1
SCHEMBL3870350 0.89 LMNA (0.54) CYP2C9LMNATP53ALDH1A1MEN1
SCHEMBL3873785 0.79 CYP2C9 (0.63) CYP2C9LMNATP53ALDH1A1MEN1
SCHEMBL3876121 0.74 CA2 (0.66) CYP2C9LMNATP53ALDH1A1MEN1
SCHEMBL12791371 0.72 TP53 (0.60) CYP2C9LMNATP53ALDH1A1MEN1
SCHEMBL3461102 0.70 NPC1 (0.70) CYP2C9TP53ALDH1A1MEN1KMT2A
SCHEMBL15766067 0.69 TGM2 (0.59) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL265806 0.69 MMP13 (0.59) LMNA
SCHEMBL5332860 0.69 NPC1 (0.72) CYP2C9MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3472086 0.68 THRB (0.75) LMNAMEN1KMT2ANPC1

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 CYP2C9 4804/4885LMNA 2068/4885TP53 4525/4885

“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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