SCHEMBL403003

SCHEMBL403003

O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.68
KCNQ2 O43526 10/20 0.68
KCNE1 P15382 8/20 0.68
KCNQ1 P51787 8/20 0.68
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 2/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
BACE1 P56817 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
STAT3 P40763 1/20 0.54

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
SCHEMBL4969173 0.91 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL403184 0.91 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL404209 0.90 SMN1; SMN2 (0.74) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL401818 0.90 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL402589 0.88 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL404883 0.85 MAPT (0.72) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL1986996 0.85 KCNQ3 (0.82) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3134896 0.84 KCNQ3 (0.78) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL403408 0.83 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL403487 0.83 SMN1; SMN2 (0.60) KCNQ3KCNQ2KCNE1KCNQ1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP claimed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US claimed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US claimed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO claimed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 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-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO KCNQ3 3763/4885KCNQ2 3497/4885KCNE1 1755/4885

“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.