SCHEMBL404883

SCHEMBL404883

O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
STAT3 P40763 1/20 0.58
KCNQ3 O43525 3/20 0.55
KCNQ2 O43526 3/20 0.55
KCNE1 P15382 2/20 0.55
KCNQ1 P51787 2/20 0.55
TP53 P04637 2/20 0.55
GRM4 Q14833 2/20 0.55
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54
SMO Q99835 1/20 0.53
RAB9A P51151 2/20 0.53
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
MEN1 O00255 2/20 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
SCHEMBL404710 0.90 MAPT (0.58) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL404373 0.90 KCNQ3 (0.58) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL403184 0.89 KCNQ3 (0.67) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL403003 0.85 KCNQ3 (0.68) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL10238371 0.84 MAPT (1.00) MAPTALDH1A1LMNATP53GRM4
SCHEMBL402589 0.84 KCNQ3 (0.71) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL401818 0.83 KCNQ3 (0.71) MAPTSMN1; SMN2KCNQ3KCNQ2KCNE1
SCHEMBL404209 0.83 SMN1; SMN2 (0.74) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4969552 0.83 MAPT (0.60) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL403408 0.82 KCNQ3 (0.72) MAPTSMN1; SMN2KDM4EALDH1A1LMNA

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 MAPT 2726/4885SMN1; SMN2 4415/4885KDM4E 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.