SCHEMBL12059834

SCHEMBL12059834

O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)NC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.53
▸ SERPINE1 P05121 7/20 0.51
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ VDR P11473 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL9984436 0.95 SIRT6 (0.51) SIRT6SERPINE1CA1CA2CA7
SCHEMBL12043261 0.94 SIRT6 (0.52) SIRT6SERPINE1CA1CA2CA7
SCHEMBL12043237 0.93 SIRT6 (0.53) SIRT6SERPINE1HTR1ADRD2DRD3
SCHEMBL12043244 0.92 SIRT6 (0.54) SIRT6SERPINE1CA1CA2CA7
SCHEMBL12043238 0.92 SIRT6 (0.52) SIRT6SERPINE1CA1CA2CA7
SCHEMBL12043242 0.90 SIRT6 (0.52) SIRT6CA1CA2CA7CA9
SCHEMBL12059676 0.89 SIRT6 (0.51) SIRT6SERPINE1HTR1ADRD2DRD4
SCHEMBL12043236 0.89 SIRT6 (0.50) SIRT6SERPINE1HTR1ADRD2DRD3
SCHEMBL12043268 0.88 SIRT6 (0.51) SIRT6SERPINE1HTR1ADRD2DRD3
SCHEMBL12043256 0.88 SIRT6 (0.48) SIRT6SERPINE1HTR1ADRD2DRD4

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-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 — — US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 — — EP 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 780/4885CA1 315/4885

“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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