SCHEMBL3558057

SCHEMBL3558057

COc1ccc(C(=O)Nc2ccc(C=CC(=O)N(N)c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.61
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
EGFR P00533 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
SNCA P37840 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KCNK9 Q9NPC2 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CCR5 P51681 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL1064703 0.77 HDAC1 (0.56)
SCHEMBL30532218 0.77 TRPM8 (1.00) TRPM8NPC1RAB9ASNCAMAPT
SCHEMBL10270950 0.77 TRPM8 (1.00) TRPM8NPC1RAB9ASNCAMAPT
SCHEMBL1065273 0.76 HDAC1 (0.71) NPC1RAB9AEGFRMMP1MMP2
SCHEMBL1065274 0.76 HDAC1 (0.71) NPC1RAB9AEGFRMMP1MMP2
SCHEMBL23552291 0.76 RAB9A (0.73) NPC1RAB9ASNCASMN1; SMN2TP53
SCHEMBL2919439 0.75 RAB9A (0.87) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4963650 0.75 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL13389942 0.75 MMP1 (0.62) NPC1RAB9AEGFRMMP1MMP2
Hydrochloric Acid SCHEMBL29693066 0.74 RAB9A (0.97) NPC1RAB9ASMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 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-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 TRPM8 4394/4885NPC1 1197/4885RAB9A 2909/4885

“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.