SCHEMBL3378050

SCHEMBL3378050

COC(=O)N(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCC4 O15439 1/20 0.42
PLIN1 O60240 1/20 0.42
CACNA1F O60840 1/20 0.42
GMNN O75496 1/20 0.42
KCNK2 O95069 1/20 0.42
ABCB11 O95342 1/20 0.42
GSR P00390 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL11036917 0.85 ALDH1A1 (0.50) ALDH1A1NPSR1MAPTTDP1POLB
SCHEMBL22439815 0.83 ALDH1A1 (0.58) ALDH1A1NPSR1TDP1SMN1; SMN2KMT2A
SCHEMBL22726415 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTTDP1POLB
SCHEMBL6671813 0.83 NPSR1 (0.44) ALDH1A1NPSR1MAPTTDP1POLB
SCHEMBL9631333 0.83 ALDH1A1 (0.48) ALDH1A1NPSR1MAPTTDP1POLB
SCHEMBL6671803 0.81 TSPO (0.46) ALDH1A1NPSR1MAPTTDP1POLB
SCHEMBL601392 0.81 ATM (0.46) ALDH1A1MAPTTDP1POLBSMN1; SMN2
SCHEMBL601391 0.81 ATM (0.46) ALDH1A1MAPTTDP1POLBSMN1; SMN2
SCHEMBL9799751 0.81 ALDH1A1 (0.42) ALDH1A1MAPTPOLBSMN1; SMN2KMT2A
SCHEMBL28783806 0.80 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTTDP1POLB

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
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 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 (2 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885NPSR1 4455/4885MAPT 2110/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885NPSR1 4455/4885MAPT 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.