SCHEMBL402823

SCHEMBL402823

CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.59
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 6/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CHRM1 P11229 1/20 0.48
HDAC1 Q13547 1/20 0.47
REV1 Q9UBZ9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL404752 0.93 RAB9A (0.60) SMORAB9ANPC1MAPTKMT2A
SCHEMBL402941 0.93 RAB9A (0.58) SMORAB9ANPC1MAPTLMNA
SCHEMBL403314 0.92 SMO (0.71) SMORAB9ANPC1MAPTKMT2A
SCHEMBL403506 0.92 MAPT (0.56) SMORAB9ANPC1MAPTHDAC3
SCHEMBL10238428 0.92 SMO (0.55) SMORAB9AMAPTKMT2ALMNA
SCHEMBL10238368 0.92 REV1 (0.58) SMORAB9ANPC1MAPTKMT2A
SCHEMBL10238467 0.92 SMO (0.54) SMORAB9ANPC1MAPTKMT2A
SCHEMBL403537 0.92 SMO (0.54) SMORAB9ANPC1MAPTLMNA
SCHEMBL4972268 0.92 SMO (0.52) SMORAB9ANPC1MAPTKMT2A
SCHEMBL404000 0.91 SMO (0.61) SMORAB9ANPC1MAPTKMT2A

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 15 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
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 3/4885RAB9A 240/4885NPC1 2248/4885

“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.