SCHEMBL403068

SCHEMBL403068

O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2F)c1)c1ccc(N2CCC(O)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.53
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
GRM4 Q14833 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
CRACR2A Q9BSW2 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
F10 P00742 1/20 0.43
FASN P49327 1/20 0.42
MAPK8 P45983 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
SCHEMBL399857 0.92 MAPT (0.57) SMORAB9ANPC1GRM4MAPT
SCHEMBL403779 0.90 SMO (0.55) SMORAB9ANPC1ALDH1A1HPGD
SCHEMBL402625 0.89 SMO (0.60) SMORAB9ANPC1GRM4MAPT
SCHEMBL399777 0.88 SMO (0.55) SMORAB9ANPC1MAPTSMN1; SMN2
SCHEMBL398151 0.87 SMO (0.53) SMORAB9ANPC1ALDH1A1HPGD
SCHEMBL400560 0.87 SMO (0.61) SMORAB9ANPC1ALDH1A1HPGD
SCHEMBL10238407 0.87 SMO (0.56) SMOALDH1A1GRM4HDAC2MALT1
SCHEMBL404073 0.86 SMO (0.59) SMORAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10238332 0.85 SMO (0.58) SMORAB9ANPC1ALDH1A1MAPT
SCHEMBL401379 0.85 SMO (0.72) SMORAB9ANPC1ALDH1A1HPGD

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 3/4885RAB9A 240/4885NPC1 2248/4885

“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.