SCHEMBL4580126

SCHEMBL4580126

COc1ccc(C(=O)Nc2cc(-c3ccc(CO)s3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.48
ABCB1 P08183 3/20 0.48
ABCC1 P33527 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 4/20 0.45

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
SCHEMBL4580225 0.89 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4580292 0.84 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1065477 0.84 HDAC1 (0.66) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL4580563 0.82 MAPT (0.46) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4578062 0.81 ABCB1 (0.39) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4578067 0.81 ABCB1 (0.39) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL14155963 0.80 SMN1; SMN2 (0.40) MAPTSMN1; SMN2NPC1RAB9AABCB1
SCHEMBL1066697 0.79 ABCB1 (0.60) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4579515 0.77 ABCB1 (0.55) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4581161 0.76 ABCB1 (0.57) MAPTSMN1; SMN2NPC1RAB9AMAPK1

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
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
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 MAPT 2110/4885SMN1; SMN2 3671/4885NPC1 1197/4885

“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.