SCHEMBL401379

SCHEMBL401379

O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCC(O)CC2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.72
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KCNQ3 O43525 3/20 0.46
KCNQ2 O43526 3/20 0.46
KCNE1 P15382 2/20 0.46
KCNQ1 P51787 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.45
MAPK8 P45983 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DGAT1 O75907 2/20 0.44
CSF1R P07333 2/20 0.44
CYP3A4 P08684 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
SCHEMBL12832029 0.92 SMO (0.77) SMOMAPTLMNATDP1RAB9A
SCHEMBL402625 0.92 SMO (0.60) SMOMAPTLMNARAB9ANPC1
SCHEMBL400560 0.91 SMO (0.61) SMOMAPTRAB9ANPC1KCNQ3
SCHEMBL399798 0.91 SMO (0.63) SMOMAPTLMNATDP1RAB9A
SCHEMBL404073 0.91 SMO (0.59) SMOMAPTLMNARAB9ANPC1
SCHEMBL10238332 0.89 SMO (0.58) SMOMAPTLMNARAB9ANPC1
SCHEMBL400145 0.88 SMO (0.73) SMOMAPTLMNARAB9ANPC1
SCHEMBL10238407 0.87 SMO (0.56) SMOALDH1A1
SCHEMBL399857 0.87 MAPT (0.57) SMOMAPTLMNARAB9ANPC1
SCHEMBL404013 0.87 SMO (0.57) SMOMAPTLMNARAB9ANPC1

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 21 patents — showing the first 20. 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
US-9910050-B2 Mutant smoothened and methods of using the same GENENTECH, INC. (US) 2018-03-06 US disclosed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-20160313354-A1 MUTANT SMOOTHENED AND METHODS OF USING THE SAME GENENTECH, INC. 2016-10-27 US disclosed
EP-2625197-B1 MUTANT SMOOTHENED AND METHODS OF USING THE SAME GENENTECH INC (US) 2016-06-29 EP disclosed
US-9321823-B2 Mutant smoothened and methods of using the same GENENTECH, INC. (US) 2016-04-26 US disclosed
US-9096686-B2 E518A/K mutant smoothened and methods of using the same GENENTECH, INC. (US) 2015-08-04 US disclosed
US-8481680-B2 Mutant smoothened and methods of using the same GENENTECH, INC. (US) 2013-07-09 US disclosed
US-20120039893-A1 MUTANT SMOOTHENED AND METHODS OF USING THE SAME GENENTECH, INC. (US) 2012-02-16 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-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 (2 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-20120039893-A1 MUTANT SMOOTHENED AND METHODS OF USING THE SAME SMO, SHH, GLI1 SMO 1/4885MAPT 4069/4885LMNA 4475/4885
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO SMO 3/4885MAPT 2726/4885LMNA 3681/4885

“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.