SCHEMBL3094028

SCHEMBL3094028

NC(=O)c1ccc(C(=O)Nc2ccc(F)nc2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.65
KCNQ2 O43526 13/20 0.65
KCNE1 P15382 8/20 0.49
KCNQ1 P51787 8/20 0.49
SNCA P37840 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
KCNQ5 Q9NR82 2/20 0.45
CYP11B2 P19099 1/20 0.44
BACE1 P56817 1/20 0.44

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
SCHEMBL3094035 0.84 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1SNCA
SCHEMBL3096946 0.83 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL14339872 0.79 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL3081735 0.77 KCNQ3 (0.58) KCNQ3KCNQ2KDM4ENPC1ALDH1A1
SCHEMBL5215458 0.75 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1P4HTM
SCHEMBL3096639 0.75 KCNQ3 (0.52) KCNQ3KCNQ2SIRT2SIRT1SIRT3
SCHEMBL3096952 0.75 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL11326868 0.71 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1SIRT1
SCHEMBL30074590 0.71 NNMT (0.61) KCNQ3KCNQ2SIRT2SIRT1SIRT3
SCHEMBL2514244 0.71 NNMT (0.61) KCNQ3KCNQ2SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS KCNQ3 3210/4885KCNQ2 2606/4885KCNE1 2255/4885

“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.