SCHEMBL8545804

SCHEMBL8545804

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.39
NR1H4 Q96RI1 14/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8578636 0.94 EPHX2 (0.39) EPHX2NR1H4MEN1KMT2ARAB9A
SCHEMBL8592166 0.94 EPHX2 (0.42) EPHX2NR1H4MEN1KMT2ARAB9A
SCHEMBL8593315 0.94 LSS (0.36) EPHX2HDAC3HDAC6
SCHEMBL8576986 0.93 EPHX2 (0.42) EPHX2NR1H4MEN1KMT2ARAB9A
SCHEMBL8593156 0.92 EPHX2 (0.39) EPHX2NR1H4MEN1KMT2ARAB9A
SCHEMBL8544471 0.92 NPC1 (0.33) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL8593316 0.92 MCHR1 (0.37) EPHX2MEN1KMT2ARAB9ANPC1
SCHEMBL8590952 0.91 NPC1 (0.41) EPHX2NR1H4MEN1KMT2ARAB9A
SCHEMBL8592260 0.91 EPHX2 (0.36) EPHX2NR1H4MEN1KMT2ARAB9A
SCHEMBL8575127 0.90 EPHX2 (0.34) EPHX2NR1H4MEN1KMT2ARAB9A

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 EPHX2 3254/4885NR1H4 767/4885MEN1 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.