SCHEMBL404073

SCHEMBL404073

O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCC(O)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.59
MAPT P10636 4/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
F10 P00742 3/20 0.47
KDM4E B2RXH2 1/20 0.46
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
MCHR1 Q99705 1/20 0.46
MAPK8 P45983 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
FASN P49327 1/20 0.44
NPC1 O15118 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL402625 0.93 SMO (0.60) SMOMAPTRAB9ALMNAHTT
SCHEMBL404013 0.92 SMO (0.57) SMOMAPTRAB9ALMNAHTT
SCHEMBL399777 0.92 SMO (0.55) SMOMAPTRAB9ALMNAHTT
SCHEMBL10238455 0.92 SMO (0.55) SMOMAPTRAB9ALMNAHTT
SCHEMBL401379 0.91 SMO (0.72) SMOMAPTRAB9ALMNAHTT
SCHEMBL399857 0.89 MAPT (0.57) SMOMAPTRAB9ALMNAHTT
SCHEMBL10238407 0.89 SMO (0.56) SMOHDAC1HDAC6
SCHEMBL10238332 0.89 SMO (0.58) SMOMAPTRAB9ALMNAHTT
SCHEMBL399798 0.87 SMO (0.63) SMOMAPTRAB9ALMNASMN1; SMN2
SCHEMBL400560 0.87 SMO (0.61) SMOMAPTRAB9AHTTSMN1; SMN2

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-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
WO-2008137114-A1 METHODS AND COMPOSITIONS FOR TARGETED DELIVERY OF GENE THERAPEUTIC VECTORS UNIVERSITY OF HAWAI'I (US) 2008-11-13 WO 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 SMO 3/4885MAPT 2726/4885RAB9A 240/4885

“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.