SCHEMBL8575209

SCHEMBL8575209

C/C(=N\NC(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCN(CCOCCO)CC3)cc2)s1)c1csc(-c2ccc(Br)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.36
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 3/20 0.32
THRB P10828 1/20 0.32
KCNA5 P22460 1/20 0.32
GPR183 P32249 1/20 0.32
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
EPHX2 P34913 1/20 0.31
PARP1 P09874 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
ENPP2 Q13822 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL8575552 0.92 MEN1 (0.41) NAMPTKMT2AMEN1SMN1; SMN2EPHX2
SCHEMBL8575205 0.91 NAMPT (0.35) NAMPTKMT2AMEN1SMN1; SMN2EPHX2
SCHEMBL8544471 0.86 NPC1 (0.33) KMT2AMEN1SMN1; SMN2
SCHEMBL8576210 0.81 MEN1 (0.30) KMT2AMEN1SMN1; SMN2
SCHEMBL8573319 0.81 ALDH1A1 (0.36) KMT2AMEN1SMN1; SMN2
SCHEMBL15936056 0.81 ALDH1A1 (0.36) KMT2AMEN1SMN1; SMN2
SCHEMBL15936057 0.81 ALDH1A1 (0.36) KMT2AMEN1SMN1; SMN2
SCHEMBL8580695 0.81 NPC1 (0.34) NAMPTKMT2AMEN1SMN1; SMN2
SCHEMBL15935971 0.81 HASPIN (0.38) SMN1; SMN2ABL1BCR
SCHEMBL8593318 0.81 HASPIN (0.38) SMN1; SMN2ABL1BCR

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 NAMPT 980/4885MAPK8 3756/4885MAPK10 4339/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NAMPT 980/4885MAPK8 3756/4885MAPK10 4339/4885

“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.