SCHEMBL3096952

SCHEMBL3096952

Nc1ccc(C(=O)Nc2ccc(F)nc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.67
KCNQ2 O43526 6/20 0.67
POLB P06746 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.64
APEX1 P27695 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
KCNE1 P15382 4/20 0.57
KCNQ1 P51787 4/20 0.57
BACE1 P56817 1/20 0.57
PTGS1 P23219 3/20 0.56
P4HTM Q9NXG6 1/20 0.56
PTPN1 P18031 2/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
MAPT P10636 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL3081741 0.91 POLB (0.64) KCNQ3KCNQ2POLBMEN1LMNA
SCHEMBL3096946 0.88 KCNQ3 (0.67) KCNQ3KCNQ2KMT2AKCNE1KCNQ1
SCHEMBL11326868 0.84 KCNQ3 (0.67) KCNQ3KCNQ2POLBMEN1KMT2A
SCHEMBL684117 0.82 MEN1 (0.81) POLBMEN1LMNAPKMAPEX1
SCHEMBL16741759 0.82 MEN1 (0.81) POLBMEN1LMNAPKMAPEX1
SCHEMBL25433785 0.81 POLB (0.64) KCNQ3KCNQ2POLBMEN1LMNA
SCHEMBL5213999 0.81 KCNQ3 (0.77) KCNQ3KCNQ2POLBMEN1LMNA
SCHEMBL30354918 0.81 POLB (0.64) KCNQ3KCNQ2POLBMEN1LMNA
SCHEMBL14339872 0.80 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1CYP11B1
SCHEMBL3094035 0.80 KCNQ3 (0.57) KCNQ3KCNQ2MEN1LMNAKMT2A

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 2606/4885POLB 760/4885

“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.