SCHEMBL462168

SCHEMBL462168

CC(=O)N1CCN(c2ccc(C(=O)N(c3ccccc3)c3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.51
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.39
CXCR3 P49682 5/20 0.39
FASN P49327 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL462057 0.86 KMT2A (0.46) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL403314 0.83 SMO (0.71) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL402823 0.79 SMO (0.59) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL404000 0.76 SMO (0.61) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL399894 0.76 SMO (0.60) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL404752 0.74 RAB9A (0.60) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL4972451 0.74 SMO (0.58) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL403506 0.73 MAPT (0.56) SMORAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL10238368 0.73 REV1 (0.58) SMOKMT2ARAB9ANPC1L3MBTL1
SCHEMBL10238428 0.73 SMO (0.55) SMOKMT2ARAB9AALDH1A1HDAC3

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 3 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 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

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 3/4885KMT2A 507/4885RAB9A 240/4885

“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.