SCHEMBL4426404

SCHEMBL4426404

O=C(NO)c1ccc(-c2cccc(CN(CCO)CCc3c[nH]c4ccccc34)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.56
KCNH2 Q12809 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
CYP3A4 P08684 1/20 0.56
HPGDS O60760 1/20 0.50
ACKR3 P25106 7/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
NAMPT P43490 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL4431399 0.92 HDAC1 (0.63) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL4420253 0.84 ACKR3 (0.67) HDAC1HPGDSACKR3
SCHEMBL8288741 0.81 HDAC1 (0.70) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL4419037 0.78 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1891586 0.77 ACKR3 (0.68) HDAC1HPGDSACKR3NPC1RAB9A
SCHEMBL21616358 0.77 HDAC1 (0.59) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL4430258 0.76 ACKR3 (0.70) HDAC1ACKR3
SCHEMBL1885544 0.76 HDAC1 (0.67) HDAC1HPGDSACKR3NPC1RAB9A
SCHEMBL6518279 0.76 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL8289901 0.74 HDAC1 (0.76) HDAC1KCNH2HDAC3HDAC4HDAC7

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 1/4885KCNH2 3454/4885HDAC3 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.