SCHEMBL8545774

SCHEMBL8545774

COC(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCCOCCO)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48
ROCK2 O75116 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CHRM3 P20309 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC1 Q13547 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK1 Q13464 1/20 0.45
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8547439 0.91 POLB (0.58) SMN1; SMN2MEN1KMT2APOLBCYP4F2
SCHEMBL40224 0.91 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2APOLBCYP4F2
SCHEMBL8544019 0.88 SMN1; SMN2 (0.51) MMP13SMN1; SMN2ROCK2HDAC6HDAC2
SCHEMBL15259124 0.87 SMN1; SMN2 (0.50) MMP13SMN1; SMN2ROCK2HDAC6HDAC2
SCHEMBL8574857 0.84 HDAC3 (0.47) SMN1; SMN2MEN1KMT2APOLBHDAC6
SCHEMBL11425652 0.83 SMN1; SMN2 (0.65) SMN1; SMN2KMT2APOLBHDAC6HDAC2
SCHEMBL8580632 0.82 MAPK1 (0.48) SMN1; SMN2MEN1KMT2APOLBHDAC2
SCHEMBL8611974 0.81 HDAC3 (0.45) SMN1; SMN2MEN1KMT2APOLBHDAC6
SCHEMBL8546299 0.80 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AHDAC6HDAC2HDAC8
SCHEMBL15259127 0.79 EPHX2 (0.57) SMN1; SMN2HDAC6HDAC1HPGDTDP1

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 MMP13 3516/4885SMN1; SMN2 555/4885MEN1 1209/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 MMP13 3516/4885SMN1; 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.