SCHEMBL402586

SCHEMBL402586

O=C(Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCN(CCO)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.67
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 3/20 0.48
MAPK8 P45983 1/20 0.48
DRD4 P21917 2/20 0.46
DYRK3 O43781 1/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK2 Q92630 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL399009 0.92 SMO (0.56) SMOMAPTRAB9AMAPK8CHRM1
SCHEMBL10279599 0.92 SMO (0.58) SMOMAPTTP53RAB9AMAPK8
SCHEMBL402516 0.90 SMO (0.70) SMOMAPTTP53RAB9ADRD4
SCHEMBL4967865 0.86 MAPK8 (0.49) SMOMAPTRAB9AMAPK8DRD4
SCHEMBL403314 0.86 SMO (0.71) SMOMAPTTP53RAB9ALMNA
SCHEMBL400145 0.86 SMO (0.73) SMOMAPTTP53RAB9ADYRK1A
SCHEMBL401379 0.85 SMO (0.72) SMOMAPTTP53RAB9AMAPK8
SCHEMBL12832029 0.84 SMO (0.77) SMOMAPTTP53RAB9ALMNA
SCHEMBL404119 0.82 CHRM1 (0.66) SMOMAPTTP53RAB9ACHRM5
SCHEMBL4967854 0.81 SMO (0.57) SMOMAPTTP53RAB9ADRD4

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 9 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-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
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 3/4885MAPT 2726/4885TP53 425/4885

“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.