SCHEMBL4580211

SCHEMBL4580211

O=C1C=C(c2ccc(NC(=O)O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 8/20 0.44
ABCB1 P08183 8/20 0.44
KCNMA1 Q12791 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HCAR3 P49019 1/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL4580218 1.00 ABCC1 (0.44) ABCC1ABCB1KCNMA1ALDH1A1HCAR3
SCHEMBL8223596 0.83 ABCB1 (0.42) ABCC1ABCB1ALDH1A1
SCHEMBL4579945 0.79 ABCB1 (0.38) ABCC1ABCB1MAPTMAPK1
SCHEMBL17457463 0.76 ABCB1 (0.69) ABCC1ABCB1KCNMA1ALDH1A1HCAR3
SCHEMBL17457465 0.76 ABCB1 (0.69) ABCC1ABCB1KCNMA1ALDH1A1HCAR3
SCHEMBL25214665 0.74 ABCC1 (0.55) ABCC1ABCB1KCNMA1ALDH1A1HCAR3
SCHEMBL1704376 0.71 ALDH1A1 (0.71) KCNMA1ALDH1A1NPC1MAPTRAB9A
SCHEMBL2466950 0.71 ABCB1 (0.52) ABCC1ABCB1KCNMA1ALDH1A1HCAR3
SCHEMBL7467332 0.71 ABCB1 (0.55) ABCC1ABCB1KCNMA1ALDH1A1HCAR3
SCHEMBL7462935 0.71 ABCB1 (0.52) ABCC1ABCB1KCNMA1ALDH1A1HCAR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ABCC1 3326/4885ABCB1 4043/4885KCNMA1 3672/4885

“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.