SCHEMBL403596

SCHEMBL403596

Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)nc3)ccc2Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.85
HDAC1 Q13547 2/20 0.58
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSF1R P07333 1/20 0.45
KCNK3 O14649 4/20 0.44
TSHR P16473 1/20 0.42
KCNK9 Q9NPC2 3/20 0.42
BCL6 P41182 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL400140 0.92 SMO (1.00) SMOHDAC1MAPTKMT2AMEN1
SCHEMBL401222 0.91 SMO (0.85) SMOHDAC1MAPTCHRM1TSHR
SCHEMBL402243 0.91 SMO (0.79) SMOHDAC1KDM4EMAPTGAA
SCHEMBL402464 0.91 SMO (0.84) SMOHDAC1MAPTKMT2AMEN1
SCHEMBL4969513 0.91 SMO (0.73) SMOHDAC1KDM4EMAPTGAA
SCHEMBL12832245 0.89 SMO (0.81) SMOHDAC1KDM4EALDH1A1TSHR
SCHEMBL10238344 0.89 SMO (0.81) SMOHDAC1KDM4EMAPTGAA
SCHEMBL400380 0.88 SMO (0.83) SMOHDAC1MAPTKMT2AMEN1
SCHEMBL402490 0.87 SMO (0.76) SMOHDAC1MAPTKMT2AMEN1
SCHEMBL401806 0.87 SMO (0.78) SMOHDAC1MAPTCHRM5CHRM1

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 11 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
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 3/4885HDAC1 105/4885KDM4E 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.