SCHEMBL3030998

SCHEMBL3030998

CCCC([S])c1cccnn1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.32
KCNH2 Q12809 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
FAAH O00519 1/20 0.31
GOT1 P17174 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNE1 P15382 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL7718073 0.85 P2RX7 (0.35) KCNA5KCNH2CTDSP1FAAHGOT1
SCHEMBL26538816 0.81 KCNA5 (0.33) KCNA5KCNH2CTDSP1FAAHGOT1
SCHEMBL13848610 0.79 FAAH (0.34) KCNA5KCNH2CTDSP1FAAHGOT1
SCHEMBL26666923 0.78 KCNA5 (0.32) KCNA5KCNH2CTDSP1FAAHGOT1
SCHEMBL25726630 0.75 FAAH (0.35) KCNA5KCNH2FAAH
SCHEMBL23750446 0.73 FAAH (0.35) KCNA5KCNH2CTDSP1FAAH
SCHEMBL26078437 0.73 FAAH (0.39) KCNH2FAAH
SCHEMBL12469850 0.72 GOT1 (0.34) KCNA5KCNH2CTDSP1FAAHGOT1
SCHEMBL21661962 0.71 FAAH (0.40) KCNH2FAAH
SCHEMBL22647103 0.71 FAAH (0.38) KCNH2FAAH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA KCNA5 3745/4885KCNH2 4668/4885CTDSP1 1073/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 KCNA5 3381/4885KCNH2 4373/4885CTDSP1 1949/4885

“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.