SCHEMBL8593304

SCHEMBL8593304

COCCOCCNC(=O)c1ccc(CNC(=O)c2ccc(C(=O)OC)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NAMPT P43490 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
CYP2C9 P11712 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8611974 0.92 HDAC3 (0.45) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL8593307 0.91 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL8592233 0.91 SMN1; SMN2 (0.46) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL15259120 0.90 NR1H4 (0.45) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL8592357 0.86 HDAC1 (0.49) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL8591614 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL15257488 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL15259160 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL8611980 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HDAC3HDAC1HDAC4HDAC6
SCHEMBL1587972 0.80 HPGD (0.50) SMN1; SMN2HDAC1HDAC4HDAC6NAMPT

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