SCHEMBL8545612

SCHEMBL8545612

CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCOCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
HDAC1 Q13547 3/20 0.48
EPHX2 P34913 8/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC6 Q9UBN7 3/20 0.45
HDAC10 Q969S8 1/20 0.44
NR1H4 Q96RI1 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL15259131 0.90 NAMPT (0.52) NAMPTHDAC1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL8592267 0.89 NAMPT (0.57) NAMPTHDAC1EPHX2L3MBTL1HDAC6
SCHEMBL31652646 0.88 HDAC1 (0.52) NAMPTHDAC1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL8590843 0.87 SMN1; SMN2 (0.50) NAMPTHDAC1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL24383305 0.85 NAMPT (0.47) NAMPTHDAC1L3MBTL1SMN1; SMN2NPC1
SCHEMBL13970761 0.85 TDP1 (0.58) NAMPTHDAC1EPHX2L3MBTL1HDAC6
SCHEMBL16444117 0.84 NAMPT (0.47) NAMPTHDAC1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL8237351 0.83 NAMPT (0.57) NAMPTHDAC1EPHX2L3MBTL1HDAC6
SCHEMBL23254969 0.82 SMN1; SMN2 (0.48) NAMPTSMN1; SMN2HDAC6HDAC10KMT2A
SCHEMBL8338878 0.82 NAMPT (0.56) NAMPTHDAC1EPHX2L3MBTL1HDAC6

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
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 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 (2 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NAMPT 980/4885HDAC1 135/4885EPHX2 3254/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NAMPT 980/4885HDAC1 135/4885EPHX2 3254/4885

“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.