SCHEMBL398188

SCHEMBL398188

CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4C)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SMO Q99835 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
USP2 O75604 2/20 0.52
TP53 P04637 2/20 0.52
GRM4 Q14833 1/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.46
MT-CO2 P00403 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 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 0.93 MAPT (0.56) L3MBTL1SMOMAPK1ALDH1A1HPGD
SCHEMBL398151 0.91 SMO (0.53) L3MBTL1SMOMAPK1ALDH1A1HPGD
SCHEMBL402823 0.90 SMO (0.59) L3MBTL1SMOMAPK1ALDH1A1HPGD
SCHEMBL4971826 0.89 SMO (0.50) L3MBTL1SMOCYP1A2MAPK1ALDH1A1
SCHEMBL402941 0.88 RAB9A (0.58) L3MBTL1SMOCYP1A2MAPK1ALDH1A1
SCHEMBL403779 0.88 SMO (0.55) L3MBTL1SMOCYP1A2ALDH1A1HPGD
SCHEMBL10238428 0.88 SMO (0.55) SMOMAPK1ALDH1A1HPGDUSP2
SCHEMBL404752 0.87 RAB9A (0.60) L3MBTL1SMOCYP1A2MAPK1ALDH1A1
SCHEMBL404000 0.87 SMO (0.61) L3MBTL1SMOCYP1A2MAPK1ALDH1A1
SCHEMBL10238368 0.86 REV1 (0.58) L3MBTL1SMOMAPK1ALDH1A1USP2

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-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

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 L3MBTL1 928/4885SMO 3/4885CYP1A2 4109/4885

“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.