SCHEMBL399894

SCHEMBL399894

CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(F)c4)c3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.60
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL403314 0.91 SMO (0.71) SMONPC1RAB9AMAPTKMT2A
SCHEMBL403537 0.91 SMO (0.54) SMONPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4970651 0.91 SMO (0.51) SMONPC1RAB9AHTR2AHTR2C
SCHEMBL404000 0.90 SMO (0.61) SMONPC1RAB9AMAPTKMT2A
SCHEMBL402823 0.90 SMO (0.59) SMONPC1RAB9AMAPTKMT2A
SCHEMBL10238368 0.88 REV1 (0.58) SMONPC1RAB9AMAPTKMT2A
SCHEMBL404752 0.87 RAB9A (0.60) SMONPC1RAB9AMAPTKMT2A
SCHEMBL398151 0.87 SMO (0.53) SMONPC1RAB9AMAPTKMT2A
SCHEMBL400560 0.87 SMO (0.61) SMONPC1RAB9AMAPTKMT2A
SCHEMBL4971048 0.87 RAB9A (0.50) SMONPC1RAB9AMAPTKMT2A

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-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 3/4885NPC1 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.