SCHEMBL1065694

SCHEMBL1065694

Cn1ccnc1Sc1cc(N)c([N+](=O)[O-])cc1F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.55
GCK P35557 7/20 0.51
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
NTSR1 P30989 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
SCHEMBL4031948 0.78 ALDH1A1 (0.57) LMNAKMT2AALDH1A1GCKCYP3A4
SCHEMBL10396010 0.78 ALDH1A1 (0.70) LMNAKMT2AALDH1A1GCKCYP3A4
SCHEMBL11730615 0.78 LMNA (0.59) LMNAKMT2AALDH1A1GCKCYP3A4
SCHEMBL10395379 0.74 LMNA (0.68) LMNAKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL10395335 0.73 ALDH1A1 (0.72) LMNAKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL10206767 0.73 LMNA (0.46) LMNAKMT2AALDH1A1GCKCYP3A4
SCHEMBL10395407 0.72 KMT2A (0.81) LMNAKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL10394638 0.72 KMT2A (1.00) LMNAKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL2661906 0.72 GCK (0.51) LMNAKMT2AALDH1A1GCKCYP3A4
SCHEMBL4029532 0.72 GCK (0.54) LMNAKMT2AALDH1A1GCK

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 6 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-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 LMNA 1922/4885KMT2A 52/4885ALDH1A1 796/4885

“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.