SCHEMBL8404704

SCHEMBL8404704

CCCCOCCOCCNC(=O)c1ccc(CC)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NAMPT P43490 1/20 0.49
PLK1 P53350 1/20 0.49
CA2 P00918 1/20 0.48

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
SCHEMBL8404703 0.89 SMN1; SMN2 (0.57) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL8404694 0.88 SMN1; SMN2 (0.59) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL15947373 0.88 SMN1; SMN2 (0.56) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL17914155 0.87 NPC1 (0.60) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL13360594 0.86 SMN1; SMN2 (0.56) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL8404712 0.85 SMN1; SMN2 (0.55) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL16209324 0.84 MEN1 (0.55) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL14853573 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL9348556 0.84 SMN1; SMN2 (0.76) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL21129983 0.83 PLK1 (0.56) SMN1; SMN2HPGDNPC1RAB9AKMT2A

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 SMN1; SMN2 555/4885HPGD 750/4885NPC1 1311/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 SMN1; SMN2 555/4885HPGD 750/4885NPC1 1311/4885

“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.