SCHEMBL8547439

SCHEMBL8547439

COC(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCCOCCO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP4A11 Q02928 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
EPHX2 P34913 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP4F2 P78329 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.46
NAMPT P43490 1/20 0.46
MAPT P10636 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL8545774 0.91 MMP13 (0.50) POLBSMN1; SMN2MEN1KMT2ACYP4A11
SCHEMBL8580632 0.89 MAPK1 (0.48) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL8611974 0.87 HDAC3 (0.45) POLBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8546299 0.86 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AEPHX2NR1H4HDAC1
SCHEMBL8574857 0.86 HDAC3 (0.47) POLBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15259127 0.85 EPHX2 (0.57) SMN1; SMN2TDP1EPHX2NR1H4HDAC1
SCHEMBL15947379 0.85 SMN1; SMN2 (0.53) POLBSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL8404712 0.85 SMN1; SMN2 (0.55) POLBSMN1; SMN2KMT2ATDP1NPC1
SCHEMBL20458275 0.83 SMN1; SMN2 (0.50) POLBSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL14853575 0.82 SMN1; SMN2 (0.49) POLBSMN1; SMN2MEN1KMT2ANPC1

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 POLB 2571/4885SMN1; SMN2 555/4885MEN1 1209/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 POLB 2571/4885SMN1; SMN2 555/4885MEN1 1209/4885

“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.