SCHEMBL403622

SCHEMBL403622

CN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.58
CSF1R P07333 7/20 0.52
KIT P10721 7/20 0.52
PAICS P22234 1/20 0.51
MAPK7 Q13164 1/20 0.51
PIR O00625 1/20 0.48
SLC2A1 P11166 1/20 0.48
BTK Q06187 1/20 0.48
EGFR P00533 3/20 0.48
BRAF P15056 2/20 0.47
F10 P00742 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
MCHR1 Q99705 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
SCHEMBL398956 0.93 SMO (0.58) SMOCSF1RKITPIR
SCHEMBL401260 0.92 PAICS (0.56) SMOCSF1RKITPAICSMAPK7
SCHEMBL403259 0.91 SMO (0.57) SMOCSF1RKITPAICSPIR
SCHEMBL4973693 0.90 MAPK7 (0.50) SMOCSF1RKITPAICSMAPK7
SCHEMBL14530571 0.87 SMO (0.62) SMOCSF1RPIR
SCHEMBL4968510 0.86 MAPK7 (0.52) CSF1RKITPAICSMAPK7BTK
SCHEMBL400165 0.85 SMO (0.75) SMOCSF1RPAICSPIR
SCHEMBL403524 0.85 SMO (0.57) SMOCSF1RKITPAICSMAPK7
SCHEMBL4973956 0.83 SMO (0.47) SMOMAPK7PIR
SCHEMBL404278 0.83 MAPT (0.52) SMOMCHR1

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-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 3/4885CSF1R 555/4885KIT 144/4885

“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.