SCHEMBL7420484

SCHEMBL7420484

O=C(NNc1ccccc1)c1coc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.68
HDAC8 Q9BY41 9/20 0.68
HDAC6 Q9UBN7 9/20 0.68
ALDH1A1 P00352 1/20 0.59
PDE4B Q07343 2/20 0.49
KCNH2 Q12809 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
PIM1 P11309 1/20 0.48
PTGS2 P35354 1/20 0.47

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
SCHEMBL19382473 0.86 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL167905 0.80 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL2554554 0.80 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL27768646 0.77 ALDH1A1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL287420 0.77 ALDH1A1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL1683862 0.76 ALDH1A1 (0.68) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL2866244 0.74 HDAC1 (0.71) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL6706804 0.74 ALDH1A1 (0.70) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL893099 0.74 ALDH1A1 (1.00) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL3436645 0.74 HDAC1 (0.65) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US disclosed
EP-1015438-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
EP-1015438-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-05 EP disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1999011637-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-11 WO disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG HDAC1 313/4885HDAC8 1283/4885HDAC6 361/4885

“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.