SCHEMBL4580957

SCHEMBL4580957

O=C(O)Nc1ccc(-c2ccc(Cl)s2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.44
ABCC1 P33527 6/20 0.44
KCNMA1 Q12791 3/20 0.44
APP P05067 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HCAR3 P49019 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
SCHEMBL4580960 1.00 ABCB1 (0.44) ABCB1ABCC1KCNMA1APPHDAC3
SCHEMBL30474690 0.83 ABCB1 (0.42) ABCB1ABCC1KCNMA1HDAC3HDAC1
SCHEMBL8228527 0.83 ABCB1 (0.42) ABCB1ABCC1KCNMA1HDAC3HDAC1
SCHEMBL25230272 0.81 ABCB1 (0.40) ABCB1ABCC1KCNMA1HDAC3HDAC1
SCHEMBL4579405 0.79 HDAC2 (0.54) HDAC3HDAC1HDAC2ALDH1A1NPC1
SCHEMBL1067260 0.78 ABCB1 (0.63) ABCB1ABCC1KCNMA1HDAC3HDAC1
SCHEMBL1067257 0.78 ABCB1 (0.63) ABCB1ABCC1KCNMA1HDAC3HDAC1
SCHEMBL17457463 0.76 ABCB1 (0.69) ABCB1ABCC1KCNMA1APPALDH1A1
SCHEMBL17457465 0.76 ABCB1 (0.69) ABCB1ABCC1KCNMA1APPALDH1A1
SCHEMBL16235764 0.76 APP (0.69) KCNMA1APPALDH1A1NPC1MAPK1

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 ABCB1 4043/4885ABCC1 3326/4885KCNMA1 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.