SCHEMBL402243

SCHEMBL402243

Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@@H](C)C4)nc3)ccc2Cl)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.79
HDAC1 Q13547 3/20 0.59
RAB9A P51151 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
IKBKB O14920 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL400380 0.94 SMO (0.83) SMOHDAC1RAB9AL3MBTL1MAPT
SCHEMBL401222 0.93 SMO (0.85) SMOHDAC1RAB9AMAPTCHRM1
SCHEMBL399580 0.92 SMO (0.78) SMOHDAC1RAB9AL3MBTL1MAPT
SCHEMBL10238458 0.92 SMO (0.78) SMOHDAC1RAB9AL3MBTL1MAPT
SCHEMBL403596 0.91 SMO (0.85) SMOHDAC1RAB9AMAPTCYP1A2
SCHEMBL402490 0.89 SMO (0.76) SMOHDAC1RAB9AL3MBTL1MAPT
SCHEMBL401806 0.88 SMO (0.78) SMOHDAC1RAB9AMAPTCHRM1
SCHEMBL400140 0.88 SMO (1.00) SMOHDAC1RAB9AMAPTLMNA
SCHEMBL10238397 0.88 SMO (0.78) SMOHDAC1TSHR
SCHEMBL10238344 0.88 SMO (0.81) SMOHDAC1RAB9AL3MBTL1MAPT

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 10 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-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 3/4885HDAC1 105/4885RAB9A 240/4885

“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.