SCHEMBL400560

SCHEMBL400560

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.61
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
HTT P42858 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
KCNQ3 O43525 4/20 0.48
KCNQ2 O43526 4/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48

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
SCHEMBL401379 0.91 SMO (0.72) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL399777 0.91 SMO (0.55) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL402625 0.90 SMO (0.60) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL399798 0.90 SMO (0.63) SMORAB9ASMN1; SMN2MAPTMEN1
SCHEMBL10238332 0.88 SMO (0.58) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL404073 0.87 SMO (0.59) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL403068 0.87 SMO (0.53) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL399894 0.87 SMO (0.60) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4969870 0.86 SMO (0.50) SMONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL399857 0.86 MAPT (0.57) SMONPC1RAB9ASMN1; SMN2MAPT

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 10 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
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 3/4885NPC1 2248/4885RAB9A 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.