SCHEMBL403524

SCHEMBL403524

CN1CCC(NCc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.57
PAICS P22234 2/20 0.54
CSF1R P07333 4/20 0.43
KIT P10721 1/20 0.43
TSHR P16473 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ROCK2 O75116 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
BRAF P15056 1/20 0.41
LCK P06239 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL403622 0.85 SMO (0.58) SMOPAICSCSF1RKITBRAF
SCHEMBL398956 0.80 SMO (0.58) SMOCSF1RKITTSHRKCNQ3
SCHEMBL399897 0.80 SMO (0.59) SMOCSF1RTSHRKCNQ3KCNQ2
SCHEMBL14530571 0.79 SMO (0.62) SMOCSF1RTSHRKCNQ3KCNQ2
SCHEMBL403259 0.78 SMO (0.57) SMOPAICSCSF1RKITTSHR
SCHEMBL400165 0.78 SMO (0.75) SMOPAICSCSF1RTSHRKCNQ3
SCHEMBL12832029 0.77 SMO (0.77) SMOCSF1RTSHRKCNQ3KCNQ2
SCHEMBL401260 0.77 PAICS (0.56) SMOPAICSCSF1RKITTSHR
SCHEMBL402589 0.76 KCNQ3 (0.71) SMOCSF1RKCNQ3KCNQ2KCNE1
SCHEMBL401379 0.76 SMO (0.72) SMOCSF1RKCNQ3KCNQ2KCNE1

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 11 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
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 SMO 3/4885PAICS 2287/4885CSF1R 555/4885

“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.