SCHEMBL399798

SCHEMBL399798

Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(N4CCC(O)CC4)nc3)ccc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.63
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSF1R P07333 1/20 0.46
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNK3 O14649 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MCHR1 Q99705 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 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
SCHEMBL401379 0.91 SMO (0.72) SMOMAPTKDM4EKMT2AMEN1
SCHEMBL404013 0.91 SMO (0.57) SMOMAPTKDM4ECHRM1ALDH1A1
SCHEMBL402625 0.90 SMO (0.60) SMOMAPTKMT2AMEN1LMNA
SCHEMBL400560 0.90 SMO (0.61) SMOMAPTKDM4EKMT2AMEN1
SCHEMBL404000 0.88 SMO (0.61) SMOMAPTKDM4ECHRM5CHRM1
SCHEMBL10238332 0.88 SMO (0.58) SMOMAPTKDM4EGAAKMT2A
SCHEMBL404073 0.87 SMO (0.59) SMOMAPTKDM4EKMT2AMEN1
SCHEMBL403779 0.87 SMO (0.55) SMOMAPTCHRM1KMT2AMEN1
SCHEMBL4971602 0.86 SMO (0.52) SMOMAPTKDM4ECHRM1GAA
SCHEMBL399857 0.86 MAPT (0.57) SMOMAPTCHRM5CHRM1LMNA

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-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
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 3/4885MAPT 2726/4885KDM4E 710/4885

“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.