SCHEMBL3096946

SCHEMBL3096946

NC(=O)c1ccc(C(=O)Nc2ccc(F)nc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.67
KCNQ2 O43526 8/20 0.67
KCNE1 P15382 6/20 0.57
KCNQ1 P51787 6/20 0.57
BACE1 P56817 1/20 0.57
P4HTM Q9NXG6 3/20 0.56
PTPN1 P18031 2/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
MAPT P10636 2/20 0.51
KMT2A Q03164 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MITF O75030 1/20 0.49
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL3081735 0.91 KCNQ3 (0.58) KCNQ3KCNQ2P4HTMPTPN1PTPN6
SCHEMBL3096952 0.88 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL11326868 0.84 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL3094028 0.83 KCNQ3 (0.65) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL3076566 0.82 PTPN1 (0.73) PTPN1MAPTKMT2AMITFNPC1
SCHEMBL27583806 0.82 PTPN1 (0.73) PTPN1MAPTKMT2AMITFNPC1
SCHEMBL5213995 0.81 KCNQ3 (0.77) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL14339872 0.80 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1CYP11B1
SCHEMBL13210699 0.79 KMT2A (0.73) PTPN1MAPTKMT2AKDM4ENPC1
SCHEMBL3096639 0.79 KCNQ3 (0.52) KCNQ3KCNQ2P4HTMKMT2AKDM4E

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.