SCHEMBL15259131

SCHEMBL15259131

COCCOCCNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
HDAC1 Q13547 2/20 0.48
EPHX2 P34913 6/20 0.47
NR1H4 Q96RI1 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
GAA P10253 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL8545612 0.90 NAMPT (0.52) NAMPTSMN1; SMN2HDAC1EPHX2NR1H4
SCHEMBL8590843 0.90 SMN1; SMN2 (0.50) NAMPTSMN1; SMN2HDAC1EPHX2NR1H4
SCHEMBL31652646 0.88 HDAC1 (0.52) NAMPTSMN1; SMN2HDAC1EPHX2NR1H4
SCHEMBL24383305 0.88 NAMPT (0.47) NAMPTSMN1; SMN2HDAC1L3MBTL1NPC1
SCHEMBL16444117 0.87 NAMPT (0.47) NAMPTSMN1; SMN2HDAC1EPHX2NR1H4
SCHEMBL6674215 0.84 SMN1; SMN2 (0.50) NAMPTSMN1; SMN2KMT2AHDAC6HDAC3
SCHEMBL23254754 0.84 SMN1; SMN2 (0.50) NAMPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4255873 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL8592267 0.83 NAMPT (0.57) NAMPTHDAC1EPHX2NR1H4L3MBTL1
SCHEMBL8237351 0.83 NAMPT (0.57) NAMPTHDAC1EPHX2NR1H4L3MBTL1

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-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

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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NAMPT 980/4885SMN1; SMN2 555/4885HDAC1 135/4885

“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.