SCHEMBL12059471

SCHEMBL12059471

COc1ccc(N2CCN(CCCC(=O)NC3CCN(c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.50
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR1A P08908 1/20 0.41

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
SCHEMBL12043242 0.95 SIRT6 (0.52) SIRT6DRD2DRD3KMT2AMEN1
SCHEMBL12043295 0.91 SIRT6 (0.52) SIRT6DRD2DRD3LMNAMAPT
SCHEMBL9984436 0.90 SIRT6 (0.51) SIRT6DRD2DRD3HTR7DRD4
SCHEMBL12043268 0.90 SIRT6 (0.51) SIRT6DRD2DRD3CACNA1GHTR2A
SCHEMBL12059676 0.90 SIRT6 (0.51) SIRT6DRD2HTR7LMNAMAPT
SCHEMBL12043264 0.90 SIRT6 (0.50) SIRT6DRD2DRD3KMT2ALMNA
SCHEMBL15996822 0.89 DRD2 (0.43) DRD2DRD3KMT2AMEN1GFER
SCHEMBL12043249 0.86 MAPT (0.49) SIRT6DRD2DRD3HTR7MAPT
SCHEMBL12043244 0.86 SIRT6 (0.54) SIRT6DRD2DRD3KMT2AMEN1
SCHEMBL12059834 0.85 SIRT6 (0.53) SIRT6DRD2DRD3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 — — US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 — — US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 — — 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO SIRT6 1314/4885DRD2 3527/4885DRD3 2930/4885

“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.

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