Sugi Predict

Sugi Predict / Compounds / SCHEMBL403570

SCHEMBL403570

SCHEMBL403570

C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccccc4F)c3)cn2)C[C@H](C)N1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.75
▸ HDAC1 Q13547 5/20 0.61
▸ GRM4 Q14833 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ IKBKB O14920 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ BCL6 P41182 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ CRACR2A Q9BSW2 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
SCHEMBL401806 0.92 SMO (0.78) SMOHDAC1GRM4MAPTRAB9A
SCHEMBL402490 0.91 SMO (0.76) SMOHDAC1GRM4MAPTRAB9A
SCHEMBL401222 0.90 SMO (0.85) SMOHDAC1GRM4MAPTRAB9A
SCHEMBL399580 0.89 SMO (0.78) SMOHDAC1MAPTRAB9ANPC1
SCHEMBL402464 0.87 SMO (0.84) SMOHDAC1MAPTRAB9ANPC1
SCHEMBL10238397 0.87 SMO (0.78) SMOHDAC1GRM4BCL6
SCHEMBL400380 0.87 SMO (0.83) SMOHDAC1MAPTRAB9ANPC1
SCHEMBL402243 0.86 SMO (0.79) SMOHDAC1MAPTRAB9ANPC1
SCHEMBL10238344 0.85 SMO (0.81) SMOHDAC1MAPTRAB9ANPC1
SCHEMBL400140 0.85 SMO (1.00) SMOHDAC1MAPTRAB9ANPC1

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 11 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-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 3/4885HDAC1 105/4885GRM4 2026/4885

“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.