SCHEMBL8404703

SCHEMBL8404703

CCCCOCCOCCNC(=O)c1ccc(CN)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CA2 P00918 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NAMPT P43490 1/20 0.47
LOX P28300 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL8404704 0.89 SMN1; SMN2 (0.60) SMN1; SMN2HPGDNPC1RAB9AGAA
SCHEMBL8404700 0.87 SMN1; SMN2 (0.58) SMN1; SMN2HPGDKMT2ACA2ALDH1A1
SCHEMBL15947373 0.85 SMN1; SMN2 (0.56) SMN1; SMN2HPGDNPC1RAB9AGAA
SCHEMBL24808224 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HPGDNPC1KMT2ACA2
SCHEMBL23568255 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HPGDNPC1KMT2AMEN1
SCHEMBL18138145 0.84 SMN1; SMN2 (0.51) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL8122188 0.84 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AKMT2ACA2
Hydrochloric Acid SCHEMBL16444149 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL8404711 0.83 SMN1; SMN2 (0.55) SMN1; SMN2HPGDNPC1KMT2ACA2
SCHEMBL8269538 0.83 L3MBTL1 (0.67) SMN1; SMN2HPGDNPC1RAB9AMAPT

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 6 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-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-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
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.