SCHEMBL402353

SCHEMBL402353

Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
KCNQ3 O43525 3/20 0.51
KCNQ2 O43526 3/20 0.51
KCNE1 P15382 3/20 0.51
KCNQ1 P51787 3/20 0.51
BACE1 P56817 1/20 0.51
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4977786 0.89 NPY1R (0.54) MAPTNPY1RNPY2RTRPV1
SCHEMBL402272 0.89 MAPT (0.67) MAPTKCNQ3KCNQ2RAB9AMEN1
SCHEMBL398913 0.88 CYP2C9 (0.54)
SCHEMBL404320 0.84 MAPT (0.54) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL401245 0.81 NPC1 (0.46) MAPTNPY1RNPY2RRAB9ASMN1; SMN2
SCHEMBL400967 0.81 NPC1 (0.46) MAPTNPY1RNPY2RRAB9AKMT2A
SCHEMBL402011 0.81 SMO (0.59) MAPTNPY1RNPY2RRAB9ASMN1; SMN2
SCHEMBL401818 0.81 KCNQ3 (0.71) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL399547 0.80 CYP2C9 (0.55)
SCHEMBL4971195 0.79 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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 13 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-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 MAPT 2726/4885NPY1R 2315/4885NPY2R 2661/4885

“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.