SCHEMBL8575552

SCHEMBL8575552

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
NAMPT P43490 4/20 0.35
EPHX2 P34913 3/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL8575209 0.92 NAMPT (0.36) MEN1KMT2ASMN1; SMN2NAMPTEPHX2
SCHEMBL8575205 0.89 NAMPT (0.35) MEN1KMT2ASMN1; SMN2MAPTNAMPT
SCHEMBL8545804 0.87 EPHX2 (0.39) MEN1KMT2ALMNAEPHX2NR1H4
SCHEMBL8576986 0.82 EPHX2 (0.42) MEN1KMT2ALMNAEPHX2NR1H4
SCHEMBL8590948 0.82 ALDH1A1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL8579608 0.82 MMP12 (0.45) NAMPTHPGD
SCHEMBL8575127 0.82 EPHX2 (0.34) MEN1KMT2AEPHX2NR1H4
SCHEMBL13090241 0.81 EPHX2 (0.49) MEN1KMT2ALMNAEPHX2NR1H4
SCHEMBL8578636 0.81 EPHX2 (0.39) MEN1KMT2ALMNAEPHX2NR1H4
SCHEMBL17715303 0.81 EPHX2 (0.38) ALDH1A1SMN1; SMN2NAMPTEPHX2HTT

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 2 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-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 (1 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-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 MEN1 1209/4885KMT2A 1024/4885ALDH1A1 291/4885

“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.