SCHEMBL5525754

SCHEMBL5525754

N#CCNC(=O)CCCCNC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.65
HDAC1 Q13547 8/20 0.65
HDAC8 Q9BY41 7/20 0.65
HDAC3 O15379 6/20 0.65
HDAC2 Q92769 6/20 0.65
HDAC4 P56524 5/20 0.65
HDAC10 Q969S8 5/20 0.65
HDAC11 Q96DB2 5/20 0.65
HDAC9 Q9UKV0 5/20 0.65
HDAC5 Q9UQL6 5/20 0.65
HDAC7 Q8WUI4 4/20 0.65
NAAA Q02083 1/20 0.57
NCOR2 Q9Y618 1/20 0.56
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL6184062 0.99 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL5524028 0.99 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL5528312 0.83 HDAC3 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL6879226 0.83 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2863808 0.81 GAA (0.61) NAAAGAA
SCHEMBL24653262 0.81 HDAC1 (0.75) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27339421 0.81 MAPK1 (0.76) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL20684933 0.81 HDAC1 (0.75) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL8770694 0.81 MAPK1 (0.76) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL5534324 0.81 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HDAC6 279/4885HDAC1 382/4885HDAC8 571/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HDAC6 279/4885HDAC1 382/4885HDAC8 571/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 HDAC6 279/4885HDAC1 382/4885HDAC8 571/4885

“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.