SCHEMBL8544019

SCHEMBL8544019

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
HDAC6 Q9UBN7 4/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
MMP13 P45452 2/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HDAC1 Q13547 3/20 0.46
PPARG P37231 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ROCK2 O75116 1/20 0.43
HTR2C P28335 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL8546299 0.93 SMN1; SMN2 (0.51) SMN1; SMN2HDAC6HDAC2HDAC8EPHX2
SCHEMBL15259124 0.92 SMN1; SMN2 (0.50) SMN1; SMN2HDAC6HDAC2HDAC8MMP13
SCHEMBL8545774 0.88 MMP13 (0.50) SMN1; SMN2HDAC6HDAC2HDAC8MMP13
SCHEMBL8574867 0.86 CA1 (0.46) SMN1; SMN2HDAC6HDAC2HDAC8HDAC1
SCHEMBL11425652 0.84 SMN1; SMN2 (0.65) SMN1; SMN2HDAC6HDAC2HDAC8HDAC1
SCHEMBL15259127 0.84 EPHX2 (0.57) SMN1; SMN2HDAC6EPHX2NR1H4HDAC1
SCHEMBL8579613 0.83 L3MBTL1 (0.44) SMN1; SMN2HDAC2EPHX2HDAC1HDAC3
SCHEMBL8611980 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HDAC6EPHX2NR1H4HDAC1
SCHEMBL45351 0.81 SMN1; SMN2 (0.56) SMN1; SMN2HDAC6HDAC2HDAC8HDAC1
SCHEMBL8404711 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HDAC6HDAC3CA2

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 555/4885HDAC6 355/4885HDAC2 1331/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 SMN1; SMN2 555/4885HDAC6 355/4885HDAC2 1331/4885

“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.