SCHEMBL15739717

SCHEMBL15739717

CC(C)(C)OC(=O)NCC(C)(C)Oc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FPR3 P25089 6/20 0.44
FPR2 P25090 6/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
AAK1 Q2M2I8 2/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
LATS1 O95835 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
SCHEMBL15718379 0.83 MGLL (0.42) RAB9ASMN1; SMN2MGLLALDH1A1MAPT
SCHEMBL5154917 0.83 MAPT (0.46) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL16585185 0.81 IDO1 (0.41) CA12CA1CA2CA9AAK1
SCHEMBL16592969 0.80 EPAS1 (0.39) NPC1RECQLRAB9ASMN1; SMN2FPR3
SCHEMBL16584931 0.79 AAK1 (0.54) NPC1RECQLRAB9ASMN1; SMN2AAK1
SCHEMBL15739789 0.77 AAK1 (0.55) CA12CA1CA2CA9AAK1
SCHEMBL29134875 0.77 NPC1 (0.46) NPC1RECQLRAB9ASMN1; SMN2FPR3
SCHEMBL12227490 0.77 CA12 (0.67) NPC1RECQLRAB9ASMN1; SMN2FPR3
SCHEMBL4969884 0.75 CA12 (0.68) FPR3FPR2CA12CA1CA2
SCHEMBL21991272 0.75 HPGD (0.44) RAB9ASMN1; SMN2ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 NPC1 92/4885RECQL 3276/4885RAB9A 1957/4885

“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.