SCHEMBL4579515

SCHEMBL4579515

COc1ccc(C(=O)Nc2cc(-c3ccc[nH]3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.55
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 1/20 0.54
ABCC1 P33527 4/20 0.53
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
F10 P00742 2/20 0.47
FBP1 P09467 1/20 0.46
HDAC2 Q92769 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL4578640 0.83 HDAC2 (0.67) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL1067097 0.82 MAPT (0.49) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1066697 0.81 ABCB1 (0.60) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4581161 0.79 ABCB1 (0.57) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8293254 0.78 MAPT (0.59) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1067526 0.78 MAPT (0.49) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6541728 0.77 SMN1; SMN2 (0.72) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4580126 0.77 MAPT (0.48) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4580292 0.75 MAPT (0.48) ABCB1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1068478 0.75 ADORA3 (0.59) ABCB1MAPTSMN1; SMN2NPC1RAB9A

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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 ABCB1 4043/4885MAPT 2110/4885SMN1; SMN2 3671/4885

“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.