SCHEMBL404000

SCHEMBL404000

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.61
NPC1 O15118 3/20 0.58
PKM P14618 1/20 0.58
MAPT P10636 5/20 0.56
KDM4E B2RXH2 1/20 0.56
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
CSF1R P07333 1/20 0.46
EGFR P00533 1/20 0.46

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 0.92 SMO (0.71) SMONPC1PKMMAPTKDM4E
SCHEMBL402941 0.91 RAB9A (0.58) SMONPC1PKMMAPTKDM4E
SCHEMBL402823 0.91 SMO (0.59) SMONPC1MAPTKDM4ECHRM1
SCHEMBL399894 0.90 SMO (0.60) SMONPC1PKMMAPTKDM4E
SCHEMBL4971603 0.90 GAA (0.52) SMONPC1PKMMAPTKDM4E
SCHEMBL10279481 0.90 NPC1 (0.59) SMONPC1PKMMAPTKDM4E
SCHEMBL10238368 0.89 REV1 (0.58) SMONPC1MAPTKDM4ERAB9A
SCHEMBL404752 0.88 RAB9A (0.60) SMONPC1MAPTRAB9AL3MBTL1
SCHEMBL399798 0.88 SMO (0.63) SMOMAPTKDM4ECHRM5CHRM1
SCHEMBL10279599 0.87 SMO (0.58) SMONPC1MAPTKDM4ECHRM5

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-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 2248/4885PKM 4085/4885

“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.