SCHEMBL403779

SCHEMBL403779

Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccc(N3CCC(O)CC3)nc2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.53
GRM4 Q14833 1/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRACR2A Q9BSW2 1/20 0.44
MCHR1 Q99705 2/20 0.43
NPC1 O15118 1/20 0.43
DHODH Q02127 1/20 0.43
F10 P00742 1/20 0.43
FASN P49327 1/20 0.43
KCNH2 Q12809 1/20 0.43
TP53 P04637 1/20 0.43
AVPR2 P30518 2/20 0.42

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
SCHEMBL399857 0.92 MAPT (0.57) SMOGRM4MAPTRAB9ASMN1; SMN2
SCHEMBL403068 0.90 SMO (0.53) SMOGRM4MAPTRAB9AALDH1A1
SCHEMBL402625 0.89 SMO (0.60) SMOGRM4MAPTRAB9AMEN1
SCHEMBL4970492 0.89 SMO (0.52) SMOL3MBTL1CYP1A2MAPTRAB9A
SCHEMBL404013 0.88 SMO (0.57) SMOL3MBTL1CYP1A2MAPTRAB9A
SCHEMBL398188 0.88 L3MBTL1 (0.56) SMOL3MBTL1CYP1A2GRM4MAPT
SCHEMBL399798 0.87 SMO (0.63) SMOL3MBTL1CYP1A2MAPTRAB9A
SCHEMBL10238407 0.87 SMO (0.56) SMOGRM4ALDH1A1
SCHEMBL404073 0.86 SMO (0.59) SMOL3MBTL1CYP1A2MAPTRAB9A
SCHEMBL402490 0.85 SMO (0.76) SMOL3MBTL1CYP1A2GRM4MAPT

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-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

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 3/4885L3MBTL1 928/4885CYP1A2 4109/4885

“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.