SCHEMBL4566820

SCHEMBL4566820

O=C(NO)c1cc(-c2cccc(NS(=O)(=O)Cc3ccccc3)c2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.53
▸ HDAC1 Q13547 2/20 0.51
▸ AURKA O14965 4/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ SGK1 O00141 1/20 0.43
▸ FLT3 P36888 4/20 0.42
▸ GAK O14976 2/20 0.42
▸ STK16 O75716 2/20 0.42
▸ AAK1 Q2M2I8 2/20 0.42
▸ BMP2K Q9NSY1 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KDR P35968 3/20 0.41
▸ BRAF P15056 1/20 0.41
▸ ACLY P53396 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ FLT1 P17948 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK2 P24941 1/20 0.40

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
SCHEMBL8287822 0.84 POLB (0.56) BRD4FLT3HPGD
SCHEMBL4552859 0.84 CDK1 (0.57) HDAC1AURKAAURKBFLT3HPGD
SCHEMBL4422505 0.81 CFD (0.54) HDAC1AURKAHPGD
SCHEMBL4427288 0.78 BCHE (0.60) HDAC1AURKAFLT3HPGD
SCHEMBL5943744 0.78 PARP1 (0.54) BRD4HDAC1HPGDACLY
SCHEMBL5449209 0.77 MAPT (0.58) HPGD
SCHEMBL8289907 0.76 HDAC6 (0.55) HDAC1AURKBFLT3KDRFLT1
SCHEMBL14875894 0.75 HDAC1 (0.56) HDAC1HPGDCYP19A1
SCHEMBL8289903 0.74 HDAC1 (0.51) HDAC1
SCHEMBL26043608 0.71 TNIK (0.51) AAK1HPGDBRAFCDK1CDK2

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 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
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 BRD4 35/4885HDAC1 1/4885AURKA 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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