SCHEMBL462057

SCHEMBL462057

CC(=O)N1CCN(c2ccc(C(=O)N(c3ccccc3)c3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)c(C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMO Q99835 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
WDR5 P61964 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL462168 0.86 SMO (0.51) KMT2ANPC1L3MBTL1RAB9ACYP1A2
SCHEMBL403228 0.83 NPC1 (0.58) KMT2ANPC1L3MBTL1RAB9ACYP1A2
SCHEMBL462167 0.78 NPC1 (0.54) KMT2ANPC1L3MBTL1RAB9ACYP1A2
SCHEMBL462058 0.75 NPC1 (0.53) KMT2ANPC1L3MBTL1RAB9ACYP1A2
SCHEMBL462059 0.73 NPC1 (0.53) KMT2ANPC1L3MBTL1RAB9ACYP1A2
SCHEMBL4970783 0.73 KMT2A (0.47) KMT2ANPC1L3MBTL1RAB9AMAPT
SCHEMBL403314 0.72 SMO (0.71) KMT2ANPC1L3MBTL1RAB9ACYP1A2
SCHEMBL403585 0.72 SMO (0.55) KMT2ANPC1L3MBTL1RAB9ASMO
SCHEMBL400967 0.71 NPC1 (0.46) KMT2ANPC1L3MBTL1RAB9ACYP2C9
SCHEMBL404000 0.69 SMO (0.61) KMT2ANPC1L3MBTL1RAB9ACYP1A2

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 KMT2A 507/4885NPC1 2248/4885L3MBTL1 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.