SCHEMBL398956

SCHEMBL398956

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.58
CHRM1 P11229 6/20 0.52
CHRM5 P08912 2/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CHRM4 P08173 2/20 0.49
CHRM3 P20309 1/20 0.49
EPHA2 P29317 1/20 0.48
PIR O00625 1/20 0.48
ADORA2A P29274 1/20 0.48
TSHR P16473 1/20 0.47
CHRM2 P08172 1/20 0.47
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 1/20 0.45
CSF1R P07333 1/20 0.45
KIT P10721 1/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 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
SCHEMBL403622 0.93 SMO (0.58) SMOPIRCSF1RKIT
SCHEMBL403259 0.91 SMO (0.57) SMOTP53MAPTNPC1RAB9A
SCHEMBL4973956 0.90 SMO (0.47) SMOCHRM1CHRM5TP53MAPT
SCHEMBL402516 0.88 SMO (0.70) SMOCHRM1CHRM5TP53MAPT
SCHEMBL400165 0.85 SMO (0.75) SMOPIRTSHRHDAC1CSF1R
SCHEMBL14530571 0.85 SMO (0.62) SMOMAPTNPC1RAB9APIR
SCHEMBL401260 0.85 PAICS (0.56) SMOCHRM1MAPTPIRTSHR
SCHEMBL4973693 0.83 MAPK7 (0.50) SMOCSF1RKITHIF1AEPAS1
SCHEMBL404278 0.83 MAPT (0.52) SMOCHRM1MAPTNPC1RAB9A
SCHEMBL399897 0.82 SMO (0.59) SMOMAPTTSHRCSF1RKCNQ3

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 12 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
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
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 3/4885CHRM1 3861/4885CHRM5 4166/4885

“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.