SCHEMBL5796819

SCHEMBL5796819

Nc1cc(-n2cccc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIK2 Q13002 1/20 0.44
GRIK3 Q13003 1/20 0.44
GRIK4 Q16099 1/20 0.44
GRIK5 Q16478 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.40
TDP1 Q9NUW8 5/20 0.40
POLB P06746 2/20 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
SCHEMBL8292026 0.86 MAPT (0.44) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8076008 0.81 GRIA1 (0.50) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL6435053 0.81 MAPT (0.47) MAPTMEN1KMT2ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL8145134 0.80 GRIA1 (0.49) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL30657597 0.80 GRIK1 (0.57) MAPTCYP1A2CYP2C9CYP2C19GRIK1
SCHEMBL20816331 0.80 GRIK1 (0.57) MAPTCYP1A2CYP2C9CYP2C19GRIK1
SCHEMBL6171984 0.77 MAPT (0.54) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8977414 0.77 KDM4E (0.46) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL199359 0.77 MAPT (0.52) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL29665784 0.77 MAPT (0.52) MAPTMEN1KMT2ACYP1A2CYP2C9

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
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885MEN1 2635/4885KMT2A 52/4885

“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.