SCHEMBL403259

SCHEMBL403259

CC(=O)N1CCN(Cc2ccc(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
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIR O00625 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CSF1R P07333 2/20 0.44
KIT P10721 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL398956 0.91 SMO (0.58) SMORAB9ANPC1PIRCSF1R
SCHEMBL403622 0.91 SMO (0.58) SMOPIRCSF1RKITPAICS
SCHEMBL4971496 0.91 SMN1; SMN2 (0.47) SMORAB9AKMT2ANPC1L3MBTL1
SCHEMBL403314 0.85 SMO (0.71) SMORAB9AKMT2ANPC1L3MBTL1
SCHEMBL400165 0.84 SMO (0.75) SMOKMT2APIRCSF1RTSHR
SCHEMBL14530571 0.84 SMO (0.62) SMORAB9AKMT2ANPC1LMNA
SCHEMBL401260 0.83 PAICS (0.56) SMOLMNAPIRHTR2ACSF1R
SCHEMBL4973956 0.82 SMO (0.47) SMORAB9AKMT2ANPC1LMNA
SCHEMBL4973693 0.82 MAPK7 (0.50) SMOLMNAHTR2ACSF1RKIT
SCHEMBL404278 0.81 MAPT (0.52) SMORAB9ANPC1L3MBTL1LMNA

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 14 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

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 3/4885RAB9A 240/4885KMT2A 507/4885

“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.