SCHEMBL4424883

SCHEMBL4424883

O=C(NO)c1ccc(-c2cccc(CNCc3ccccc3)c2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC1 Q13547 5/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
LDHA P00338 1/20 0.49
LDHB P07195 1/20 0.49
S1PR4 O95977 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RPA1 P27694 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45

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 0.90 HDAC1 (0.54) HDAC8HDAC6HDAC1KDM4EALDH1A1
SCHEMBL4422119 0.88 HDAC1 (0.49) HDAC8HDAC6HDAC1KDM4EALDH1A1
SCHEMBL5447915 0.84 HDAC1 (0.67) HDAC6HDAC1KDM4EALDH1A1HPGD
SCHEMBL14106943 0.81 ALDH1A1 (0.62) HDAC6HDAC1KDM4EALDH1A1HPGD
SCHEMBL5444560 0.81 ALDH1A1 (0.61) HDAC8HDAC1KDM4EALDH1A1LMNA
SCHEMBL4423968 0.81 KDM4E (0.60) HDAC8HDAC6HDAC1KDM4EALDH1A1
SCHEMBL8288789 0.81 DPP7 (0.48) HDAC1ALDH1A1HPGDGAAL3MBTL1
SCHEMBL14449047 0.80 MMP13 (0.49) HDAC6RAB9A
SCHEMBL8288792 0.80 ATR (0.47) ALDH1A1HPGDGAAL3MBTL1SMN1; SMN2
SCHEMBL5444849 0.79 HDAC1 (0.54) HDAC8HDAC6HDAC1KDM4EALDH1A1

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 HDAC8 9/4885HDAC6 15/4885HDAC1 1/4885

“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.