SCHEMBL4552859

SCHEMBL4552859

O=C(NO)c1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ AURKA O14965 10/20 0.54
▸ FLT3 P36888 8/20 0.54
▸ KDR P35968 5/20 0.54
▸ FLT1 P17948 2/20 0.53
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PFKFB3 Q16875 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 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
SCHEMBL4566820 0.84 BRD4 (0.53) CDK1CDK2AURKAFLT3KDR
SCHEMBL8289882 0.82 POLB (0.64) CDK1CDK2AURKAFLT3KDR
SCHEMBL4427288 0.80 BCHE (0.60) AURKAFLT3HDAC2HDAC8HDAC6
SCHEMBL4422505 0.76 CFD (0.54) AURKAHDAC8HDAC6ALDH1A1HPGD
SCHEMBL5943909 0.76 HDAC8 (0.65) HDAC2HDAC8HDAC6HDAC1MEN1
SCHEMBL17593268 0.75 MAPT (0.51) AURKAFLT3KDRALDH1A1MEN1
SCHEMBL5449209 0.75 MAPT (0.58) ALDH1A1HPGDHTTMEN1LMNA
SCHEMBL26043608 0.74 TNIK (0.51) CDK1CDK2ALDH1A1HPGDKMT2A
SCHEMBL8289907 0.71 HDAC6 (0.55) CDK1FLT3KDRFLT1HDAC2
SCHEMBL17593242 0.71 PHGDH (0.70) ALDH1A1MEN1LMNAKMT2A

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 7 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
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
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 — — US 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 CDK1 178/4885CDK2 130/4885AURKA 605/4885

“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.

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