SCHEMBL8404694

SCHEMBL8404694

CCc1ccc(C(=O)NCCOCCOC)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 3/20 0.57
HPGD P15428 5/20 0.54
TDP1 Q9NUW8 1/20 0.53
PLK1 P53350 1/20 0.51
CA2 P00918 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2B P18089 1/20 0.48
OPRD1 P41143 1/20 0.48
SCN5A Q14524 1/20 0.48
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 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
SCHEMBL2056358 0.91 HPGD (0.64) ALDH1A1HPGDTDP1PLK1KMT2A
SCHEMBL17914155 0.90 NPC1 (0.60) SMN1; SMN2ALDH1A1HPGDPLK1CA2
SCHEMBL13360594 0.88 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDTDP1PLK1
SCHEMBL8404704 0.88 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HPGDPLK1CA2
SCHEMBL8404712 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDTDP1PLK1
SCHEMBL24518572 0.87 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDCA2KMT2A
SCHEMBL8404700 0.87 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDCA2KMT2A
SCHEMBL21129983 0.86 PLK1 (0.56) SMN1; SMN2ALDH1A1HPGDPLK1KMT2A
SCHEMBL15947375 0.85 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDCA2KMT2A
SCHEMBL13546267 0.85 PLK1 (0.51) SMN1; SMN2ALDH1A1HPGDTDP1PLK1

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 555/4885ALDH1A1 291/4885HPGD 750/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 SMN1; SMN2 555/4885ALDH1A1 291/4885HPGD 750/4885

“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.