SCHEMBL8611980

SCHEMBL8611980

NNC(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCCOCCO)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 2/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 1/20 0.41
TPSAB1 Q15661 1/20 0.41
EPHX2 P34913 3/20 0.40
MAPT P10636 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL15259128 0.92 EPHX2 (0.43) SMN1; SMN2HDAC1HDAC3HDAC6HDAC4
SCHEMBL8592233 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HDAC1HDAC3HDAC6HDAC4
SCHEMBL8546299 0.89 SMN1; SMN2 (0.51) SMN1; SMN2HDAC1HDAC6CA2CA1
SCHEMBL8611974 0.89 HDAC3 (0.45) SMN1; SMN2HDAC1HDAC3HDAC6HDAC4
SCHEMBL8593789 0.88 CA1 (0.47) HDAC1HDAC3HDAC6HDAC4CA2
SCHEMBL8591614 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HDAC1HDAC3HDAC6HDAC4
SCHEMBL8578411 0.85 HDAC3 (0.47) SMN1; SMN2HDAC1HDAC3
SCHEMBL15259127 0.83 EPHX2 (0.57) SMN1; SMN2HDAC1HDAC6CA2CA1
SCHEMBL8544019 0.82 SMN1; SMN2 (0.51) SMN1; SMN2HDAC1HDAC3HDAC6HDAC4
SCHEMBL8611986 0.82 ALDH1A1 (0.42) SMN1; SMN2HDAC1HDAC3HDAC6HDAC4

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 555/4885HDAC1 135/4885HDAC3 116/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 SMN1; SMN2 555/4885HDAC1 135/4885HDAC3 116/4885

“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.