SCHEMBL402011

SCHEMBL402011

Cc1nc(N2CC(C)NC(C)C2)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.59
IKBKB O14920 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
HDAC1 Q13547 1/20 0.42
MAPT P10636 2/20 0.42
CTNNB1 P35222 4/20 0.40
TCF7L2 Q9NQB0 4/20 0.40
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL4970534 0.91 SMO (0.50) SMOIKBKBNPY1RNPY2R
SCHEMBL404517 0.91 SMO (0.63) SMORAB9ANPC1HDAC1MAPT
SCHEMBL401969 0.87 SMO (0.75) SMORAB9ANPC1HDAC1MAPT
SCHEMBL399580 0.86 SMO (0.78) SMOIKBKBRAB9ANPC1SMN1; SMN2
SCHEMBL401245 0.85 NPC1 (0.46) SMOIKBKBRAB9ANPC1SMN1; SMN2
SCHEMBL400967 0.84 NPC1 (0.46) IKBKBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL402353 0.81 MAPT (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1NPY1R
SCHEMBL402243 0.80 SMO (0.79) SMOIKBKBRAB9ANPC1SMN1; SMN2
SCHEMBL403570 0.79 SMO (0.75) SMOIKBKBRAB9ANPC1SMN1; SMN2
SCHEMBL400380 0.79 SMO (0.83) SMOIKBKBRAB9ANPC1SMN1; 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 13 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
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 3/4885IKBKB 243/4885RAB9A 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.