SCHEMBL5943918

SCHEMBL5943918

Nc1cc(F)cc(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSPB1 P04792 3/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
PDE7A Q13946 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
EPAS1 Q99814 2/20 0.40
VEGFA P15692 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2646859 0.81 L3MBTL1 (0.54) MEN1KMT2ATDP1HSPB1MAPT
SCHEMBL10974543 0.80 MEN1 (0.51) MEN1KMT2ATTRALBTHRB
SCHEMBL10822131 0.80 KMT2A (0.50) MEN1KMT2ATTRALBTHRB
SCHEMBL21685240 0.78 MGMT (0.53) MEN1KMT2AMAPTCYP19A1
SCHEMBL2643872 0.78 PIN1 (0.43) HSPB1MAPTSMN1; SMN2
SCHEMBL7405348 0.77 CYP1A2 (0.47) MEN1KMT2ATTRALBTHRB
SCHEMBL11033566 0.76 MEN1 (0.54) MEN1KMT2ATTRALBTHRB
SCHEMBL16052765 0.76 HTT (0.50) MEN1KMT2ATTRTDP1MAPT
SCHEMBL10688519 0.75 HTR6 (0.54) MEN1KMT2ATTRALBTHRB
SCHEMBL10337156 0.73 HTT (0.60) MEN1KMT2ATTRALBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 MEN1 4206/4885KMT2A 100/4885TTR 4763/4885

“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.