SCHEMBL17487352

SCHEMBL17487352

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.67
HDAC8 Q9BY41 8/20 0.67
HDAC6 Q9UBN7 8/20 0.67
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
PDE4B Q07343 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
PDE4D Q08499 2/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL25002914 0.85 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL2221957 0.85 HDAC1 (0.67) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL21639144 0.85 HDAC1 (0.68) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL27237310 0.85 HDAC1 (0.55) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL2823348 0.85 HDAC1 (0.55) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL6386434 0.84 HDAC1 (0.65) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL20361433 0.84 TARBP2 (0.60) HDAC1HDAC8HDAC6PDE4BSMN1; SMN2
SCHEMBL3558409 0.83 HDAC1 (0.52) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL1544536 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6ALDH1A1PDE4B

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 HDAC1 1530/4885HDAC8 715/4885HDAC6 3954/4885

“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.