SCHEMBL3876121

SCHEMBL3876121

O=C(O)c1ccc2c(=O)n(CCc3ccccc3)c(SCC(=O)c3ccccc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.66
▸ CA9 Q16790 2/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ TP53 P04637 3/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ATM Q13315 1/20 0.59
▸ MEN1 O00255 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 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
SCHEMBL12791371 0.85 TP53 (0.60) CA2CA9CA12CA1TP53
SCHEMBL3874256 0.74 CYP2C9 (0.57) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL3869026 0.74 CYP2C9 (0.72) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL15503867 0.72 USP2 (0.78) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL30002936 0.69 PIK3C2A (0.64) ALDH1A1MAPTNPSR1
SCHEMBL21586275 0.69 PIK3C2A (0.64) ALDH1A1MAPTNPSR1
SCHEMBL4213820 0.69 RAB9A (0.69) ALDH1A1MAPTKDM4EMEN1POLB
SCHEMBL3867743 0.69 KMT2A (0.59) CA2TP53ALDH1A1MAPTKDM4E
SCHEMBL3870350 0.68 LMNA (0.54) TP53ALDH1A1MAPTLMNAMEN1
SCHEMBL15503902 0.68 LMNA (0.66) CA2ALDH1A1MAPTKDM4ELMNA

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 138/4885CA9 2116/4885CA12 2229/4885

“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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