SCHEMBL403408

SCHEMBL403408

O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(F)c2)c1)c1ccc(Cl)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.72
KCNQ2 O43526 10/20 0.72
KCNE1 P15382 9/20 0.72
KCNQ1 P51787 9/20 0.72
KCNQ5 Q9NR82 1/20 0.58
CSF1R P07333 1/20 0.55
BACE1 P56817 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
STAT3 P40763 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL402589 0.89 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL401818 0.89 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL403184 0.87 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL403487 0.87 SMN1; SMN2 (0.60) KCNQ3KCNQ2KCNE1KCNQ1CSF1R
SCHEMBL5215978 0.84 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL403003 0.83 KCNQ3 (0.68) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL404373 0.83 KCNQ3 (0.58) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL4972665 0.83 KCNQ3 (0.66) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL404883 0.82 MAPT (0.72) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL404209 0.81 SMN1; SMN2 (0.74) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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.