SCHEMBL4422119

SCHEMBL4422119

O=C(NO)c1ccc(-c2cccc(CNCCCc3ccccc3)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 1/20 0.47
BCHE P06276 1/20 0.47
KDM4E B2RXH2 2/20 0.46
C3AR1 Q16581 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL4420246 0.93 HDAC1 (0.54) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL4424883 0.88 HDAC8 (0.55) HDAC1HDAC8HDAC2HDAC6ALDH1A1
SCHEMBL4423968 0.82 KDM4E (0.60) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL5944236 0.80 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL8288789 0.79 DPP7 (0.48) HDAC1ALDH1A1HPGDL3MBTL1
SCHEMBL14449047 0.78 MMP13 (0.49) HDAC6NPC1
SCHEMBL8288792 0.78 ATR (0.47) ALDH1A1HPGDNPC1L3MBTL1
SCHEMBL14106943 0.75 ALDH1A1 (0.62) HDAC1HDAC6HDAC4ALDH1A1HPGD
SCHEMBL5456286 0.73 KDM4E (0.45) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL5447915 0.73 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC6ALDH1A1

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-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP claimed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP claimed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO claimed
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC8 9/4885HDAC3 5/4885

“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.