SCHEMBL403184

SCHEMBL403184

O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(Cl)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.67
KCNQ2 O43526 8/20 0.67
MAPT P10636 5/20 0.65
KCNE1 P15382 6/20 0.59
KCNQ1 P51787 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
STAT3 P40763 1/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 1/20 0.58
MDM4 O15151 1/20 0.57
TP53 P04637 1/20 0.57
MDM2 Q00987 1/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
GRM4 Q14833 1/20 0.56

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
SCHEMBL403003 0.91 KCNQ3 (0.68) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL402589 0.89 KCNQ3 (0.71) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL404883 0.89 MAPT (0.72) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL404209 0.89 SMN1; SMN2 (0.74) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL401818 0.89 KCNQ3 (0.71) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL4969552 0.89 MAPT (0.60) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL403487 0.87 SMN1; SMN2 (0.60) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL403408 0.87 KCNQ3 (0.72) KCNQ3KCNQ2MAPTKCNE1KCNQ1
SCHEMBL3790049 0.87 MAPT (0.83) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL404710 0.86 MAPT (0.58) KCNQ3KCNQ2MAPTKCNE1KCNQ1

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 3497/4885MAPT 2726/4885

“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.