SCHEMBL404209

SCHEMBL404209

Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(Cl)nc3)ccc2Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
RAB9A P51151 4/20 0.74
KCNQ3 O43525 8/20 0.57
KCNQ2 O43526 8/20 0.57
KCNE1 P15382 6/20 0.57
KCNQ1 P51787 6/20 0.57
MAPT P10636 5/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
BACE1 P56817 1/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 2/20 0.52
STAT3 P40763 1/20 0.52

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
SCHEMBL403003 0.90 KCNQ3 (0.68) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL403184 0.89 KCNQ3 (0.67) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL403487 0.89 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL401818 0.88 KCNQ3 (0.71) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL8361559 0.86 RAB9A (1.00) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL404710 0.85 MAPT (0.58) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL402589 0.83 KCNQ3 (0.71) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL404883 0.83 MAPT (0.72) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL4967489 0.83 KMT2A (0.63) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL13947174 0.83 RAB9A (0.83) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1

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 16 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
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
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 SMN1; SMN2 4415/4885RAB9A 240/4885KCNQ3 3763/4885

“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.