SCHEMBL402941

SCHEMBL402941

CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(C)cc4)c3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
SMO Q99835 2/20 0.55
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
BPTF Q12830 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PANK3 Q9H999 1/20 0.46

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
SCHEMBL4971825 0.94 RAB9A (0.54) RAB9AL3MBTL1MAPTALDH1A1CYP2C19
SCHEMBL404752 0.93 RAB9A (0.60) RAB9AL3MBTL1MAPTALDH1A1CYP2C19
SCHEMBL402823 0.93 SMO (0.59) RAB9AL3MBTL1MAPTALDH1A1HPGD
SCHEMBL10238467 0.92 SMO (0.54) RAB9AL3MBTL1MAPTALDH1A1CYP2C19
SCHEMBL403537 0.92 SMO (0.54) RAB9AL3MBTL1MAPTALDH1A1CYP2C19
SCHEMBL404000 0.91 SMO (0.61) RAB9AL3MBTL1MAPTALDH1A1CYP2C19
SCHEMBL398188 0.88 L3MBTL1 (0.56) RAB9AL3MBTL1MAPTALDH1A1HPGD
SCHEMBL10238368 0.88 REV1 (0.58) RAB9AL3MBTL1MAPTALDH1A1SMO
SCHEMBL403506 0.88 MAPT (0.56) RAB9AL3MBTL1MAPTALDH1A1HPGD
SCHEMBL403314 0.88 SMO (0.71) RAB9AL3MBTL1MAPTALDH1A1CYP2C19

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 15 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
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 RAB9A 240/4885L3MBTL1 928/4885MAPT 2726/4885

“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.