SCHEMBL398151

SCHEMBL398151

CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4F)c3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRM4 Q14833 1/20 0.46
DGAT1 O75907 1/20 0.46
MAPT P10636 3/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
NPY2R P49146 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL403506 0.92 MAPT (0.56) SMOALDH1A1HPGDTP53MAPK1
SCHEMBL10279483 0.91 DGAT1 (0.47) ALDH1A1HPGDTP53MAPK1USP2
SCHEMBL398188 0.91 L3MBTL1 (0.56) SMOALDH1A1HPGDTP53MAPK1
SCHEMBL402823 0.89 SMO (0.59) SMOALDH1A1HPGDTP53MAPK1
SCHEMBL4970694 0.89 DGAT1 (0.51) SMORAB9ADGAT1KCNQ3KCNQ2
SCHEMBL403537 0.89 SMO (0.54) SMOALDH1A1MAPK1RAB9ANPC1
SCHEMBL399894 0.87 SMO (0.60) SMOALDH1A1HPGDTP53MAPK1
SCHEMBL403068 0.87 SMO (0.53) SMOALDH1A1HPGDRAB9ANPC1
SCHEMBL10238428 0.87 SMO (0.55) SMOALDH1A1HPGDTP53MAPK1
SCHEMBL404752 0.87 RAB9A (0.60) SMOALDH1A1HPGDTP53MAPK1

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-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

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 3/4885ALDH1A1 2103/4885HPGD 3917/4885

“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.