SCHEMBL8611974

SCHEMBL8611974

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2C9 P11712 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8593304 0.92 SMN1; SMN2 (0.46) HDAC3HDAC1HDAC4HDAC6KMT2A
SCHEMBL8592357 0.90 HDAC1 (0.49) HDAC3HDAC1HDAC4HDAC6POLB
SCHEMBL8611980 0.89 SMN1; SMN2 (0.44) HDAC3HDAC1HDAC4HDAC6SMN1; SMN2
SCHEMBL8593307 0.88 SMN1; SMN2 (0.47) HDAC3HDAC1HDAC4HDAC6SMN1; SMN2
SCHEMBL15259128 0.88 EPHX2 (0.43) HDAC3HDAC1HDAC4HDAC6SMN1; SMN2
SCHEMBL8547439 0.87 POLB (0.58) HDAC1HDAC6POLBKMT2ASMN1; SMN2
SCHEMBL8592233 0.83 SMN1; SMN2 (0.46) HDAC3HDAC1HDAC4HDAC6KMT2A
SCHEMBL8612098 0.83 NAMPT (0.45) HDAC3HDAC1HDAC4HDAC6POLB
SCHEMBL15259120 0.82 NR1H4 (0.45) HDAC3HDAC1HDAC4HDAC6KMT2A
SCHEMBL8545774 0.81 MMP13 (0.50) HDAC1HDAC6POLBKMT2ASMN1; SMN2

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 HDAC3 116/4885HDAC1 135/4885HDAC4 288/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 HDAC3 116/4885HDAC1 135/4885HDAC4 288/4885

“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.