SCHEMBL10025445

SCHEMBL10025445

COC(=O)c1coc(-c2coc(-c3cocn3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.36
HDAC8 Q9BY41 9/20 0.36
HDAC6 Q9UBN7 9/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
MAPK1 P28482 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL10025448 1.00 HDAC1 (0.36) HDAC1HDAC8HDAC6IMPDH2IMPDH1
SCHEMBL10025444 1.00 HDAC1 (0.36) HDAC1HDAC8HDAC6IMPDH2IMPDH1
SCHEMBL2467189 0.96 HDAC1 (0.39) HDAC1HDAC8HDAC6IMPDH2IMPDH1
SCHEMBL12299190 0.85 GPR119 (0.34) IMPDH2IMPDH1SCN10A
SCHEMBL10025450 0.82 ALDH1A1 (0.36) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13954136 0.80 DAGLA (0.30) DAGLA
SCHEMBL13954163 0.80 HDAC1 (0.41) HDAC1HDAC8HDAC6DAGLASCN10A
SCHEMBL12522549 0.80 HDAC1 (0.41) HDAC1HDAC8HDAC6DAGLAALDH1A1
SCHEMBL12522552 0.78 HDAC1 (0.40) HDAC1HDAC8HDAC6DAGLATP53
SCHEMBL2472014 0.77 ALDH1A1 (0.39) HDAC1HDAC8HDAC6ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993607-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-03-31 US disclosed
US-8993607-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-03-31 US disclosed
US-20120046234-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2012-02-23 US disclosed
US-20120046234-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2012-02-23 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-20120046234-A1 THERAPEUTIC COMPOUNDS MKI67, MCL1, TP53 HDAC1 123/4885HDAC8 468/4885HDAC6 15/4885

“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.