SCHEMBL1066907

SCHEMBL1066907

Nc1cc(-c2cccs2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 5/20 0.42
TSHR P16473 2/20 0.42
ERN1 O75460 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL21999648 0.78 NPC1 (0.46) MEN1KMT2AMAPTTSHRERN1
SCHEMBL29465715 0.76 KCNH2 (0.62) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL1065088 0.76 KCNH2 (0.62) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL27593939 0.75 ATM (0.50) MEN1KMT2AMAPTTDP1ERN1
SCHEMBL651066 0.75 MAPT (0.64) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL7808231 0.75 ALDH1A1 (0.49) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL14247146 0.74 MAPT (0.50) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL2782222 0.74 NPC1 (0.46) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL18380090 0.73 TDP1 (0.51) MEN1KMT2AMAPTTDP1TSHR
SCHEMBL564506 0.72 TDP1 (0.52) MEN1KMT2AMAPTTDP1TSHR

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 11 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-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
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
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 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-2005030705-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

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 MEN1 2635/4885KMT2A 52/4885MAPT 2110/4885

“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.