SCHEMBL5579236

SCHEMBL5579236

O=C1Nc2ccccc2C(=O)N(O)[C@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
MDM2 Q00987 3/20 0.51
GAA P10253 9/20 0.49
GFER P55789 1/20 0.46
KDM4E B2RXH2 10/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALOX15 P16050 3/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11686593 0.81 GFER (0.59) TP53MDM2GFERKDM4EMEN1
SCHEMBL4702896 0.76 MDM2 (0.81) TP53MDM2
SCHEMBL11686620 0.70 GFER (0.50) TP53MDM2GAAGFERKDM4E
SCHEMBL13685637 0.68 MAPT (0.59) TP53GAAGFERKDM4EMEN1
SCHEMBL29820174 0.68 BRD4 (0.43) TP53MDM2GAAGFERKDM4E
SCHEMBL5579367 0.66 TNKS2 (0.59) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL6307527 0.66 JAK2 (0.47) TP53GFERKDM4EALDH1A1ALOX15
SCHEMBL22451360 0.66 GFER (0.60) GFERKDM4EMEN1KMT2AALDH1A1
SCHEMBL5579365 0.66 TNKS2 (0.59) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL30592959 0.66 RAB9A (0.49) GAAGFERKDM4EALDH1A1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 TP53 4743/4885MDM2 4828/4885GAA 1711/4885

“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.