SCHEMBL2823348

SCHEMBL2823348

COC(=O)c1coc(-c2ccc(N)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.55
HDAC8 Q9BY41 9/20 0.55
HDAC6 Q9UBN7 9/20 0.55
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.46
ELANE P08246 1/20 0.46
PDE4B Q07343 5/20 0.44
PDE4D Q08499 2/20 0.44
KMT2A Q03164 1/20 0.40

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
SCHEMBL21689281 0.86 HDAC1 (0.68) HDAC1HDAC8HDAC6ALDH1A1TP53
SCHEMBL17487352 0.85 HDAC1 (0.67) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL27237310 0.85 HDAC1 (0.55) HDAC1HDAC8HDAC6ALDH1A1SCN10A
SCHEMBL21639144 0.85 HDAC1 (0.68) HDAC1HDAC8HDAC6ALDH1A1TP53
SCHEMBL2221957 0.85 HDAC1 (0.67) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL25002914 0.85 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL6386434 0.84 HDAC1 (0.65) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL6392931 0.84 HDAC1 (0.51) HDAC1HDAC8HDAC6ALDH1A1SCN10A
SCHEMBL24339961 0.84 ELANE (0.53) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL3558409 0.83 HDAC1 (0.52) HDAC1HDAC8HDAC6ALDH1A1SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HDAC1 218/4885HDAC8 174/4885HDAC6 427/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HDAC1 41/4885HDAC8 320/4885HDAC6 279/4885

“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.