SCHEMBL12059676

SCHEMBL12059676

CC(C)(C)c1ccc(N2CCN(CCCC(=O)NC3CCN(c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.51
▸ SERPINE1 P05121 4/20 0.44
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ TMEM97 Q5BJF2 4/20 0.40
▸ VDR P11473 1/20 0.40
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL12043261 0.95 SIRT6 (0.52) SIRT6SERPINE1DRD2DRD4LMNA
SCHEMBL9984436 0.94 SIRT6 (0.51) SIRT6SERPINE1DRD2DRD4TMEM97
SCHEMBL12043295 0.92 SIRT6 (0.52) SIRT6SERPINE1DRD2LMNAMAPT
SCHEMBL12043268 0.91 SIRT6 (0.51) SIRT6SERPINE1DRD2TMEM97HTR1A
SCHEMBL12043264 0.90 SIRT6 (0.50) SIRT6SERPINE1DRD2DRD4LMNA
SCHEMBL12059471 0.90 SIRT6 (0.50) SIRT6DRD2DRD4LMNAMAPT
SCHEMBL12059834 0.89 SIRT6 (0.53) SIRT6SERPINE1DRD2DRD4MAPT
SCHEMBL12043249 0.87 MAPT (0.49) SIRT6DRD2DRD4MAPTHTR6
SCHEMBL12043244 0.87 SIRT6 (0.54) SIRT6SERPINE1DRD2LMNAMAPT
SCHEMBL12043237 0.86 SIRT6 (0.53) SIRT6SERPINE1DRD2MAPTALDH1A1

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 1314/4885SERPINE1 780/4885DRD2 3527/4885

“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.

Send feedback