SCHEMBL402490

SCHEMBL402490

Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccc(N3C[C@@H](C)N[C@@H](C)C3)nc2)ccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.76
HDAC1 Q13547 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
GRM4 Q14833 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
DHODH Q02127 1/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 1/20 0.42
CRACR2A Q9BSW2 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 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 0.93 SMO (0.78) SMOHDAC1GRM4MAPTPPARG
SCHEMBL403570 0.91 SMO (0.75) SMOHDAC1GRM4MAPTALDH1A1
SCHEMBL401222 0.90 SMO (0.85) SMOHDAC1GRM4MAPTPPARG
SCHEMBL402243 0.89 SMO (0.79) SMOHDAC1L3MBTL1CYP1A2MAPT
SCHEMBL10238397 0.88 SMO (0.78) SMOHDAC1GRM4
SCHEMBL400380 0.88 SMO (0.83) SMOHDAC1L3MBTL1MAPTMEN1
SCHEMBL403596 0.87 SMO (0.85) SMOHDAC1CYP1A2MAPTMEN1
SCHEMBL10238344 0.86 SMO (0.81) SMOHDAC1L3MBTL1MAPTMEN1
SCHEMBL400140 0.86 SMO (1.00) SMOHDAC1MAPTMEN1KMT2A
SCHEMBL4972109 0.86 SMO (0.75) SMOHDAC1MAPTALDH1A1RAB9A

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 12 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
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-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 SMO 3/4885HDAC1 105/4885L3MBTL1 928/4885

“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.