SCHEMBL1068549

SCHEMBL1068549

Nc1cc(-c2csc(NC(=O)O)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
SIRT5 Q9NXA8 1/20 0.50
BAZ1A Q9NRL2 1/20 0.50
TP53 P04637 1/20 0.49
LMNA P02545 3/20 0.49
ABL1 P00519 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MITF O75030 1/20 0.47
NTSR1 P30989 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL1068548 1.00 RAB9A (0.52) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8293262 0.84 HDAC3 (0.49) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10965903 0.80 RAB9A (0.78) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10962764 0.78 KMT2A (0.74) RAB9AMEN1KMT2AMAPTBAZ1A
SCHEMBL10966433 0.78 HDAC3 (0.67) MEN1KMT2AMAPTSMN1; SMN2BAZ1A
SCHEMBL7474481 0.76 ROCK1 (0.57) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1068485 0.76 ADORA3 (0.59) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1068478 0.76 ADORA3 (0.59) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10966343 0.75 HDAC3 (0.65) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3599077 0.74 SIRT5 (0.58) RAB9AMEN1KMT2AMAPTSMN1; 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 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 RAB9A 2909/4885MEN1 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.