SCHEMBL12043261

SCHEMBL12043261

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.52
▸ SERPINE1 P05121 4/20 0.45
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ VDR P11473 1/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 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
SCHEMBL12059676 0.95 SIRT6 (0.51) SIRT6SERPINE1MAPTALDH1A1LMNA
SCHEMBL12059834 0.94 SIRT6 (0.53) SIRT6SERPINE1MAPTALDH1A1CA1
SCHEMBL12043244 0.92 SIRT6 (0.54) SIRT6SERPINE1MAPTALDH1A1LMNA
SCHEMBL12043237 0.91 SIRT6 (0.53) SIRT6SERPINE1MAPTALDH1A1DRD2
SCHEMBL12043238 0.90 SIRT6 (0.52) SIRT6SERPINE1MAPTLMNANPSR1
SCHEMBL12043242 0.89 SIRT6 (0.52) SIRT6MAPTALDH1A1LMNAHTT
SCHEMBL9984436 0.89 SIRT6 (0.51) SIRT6SERPINE1CA1CA2CA7
SCHEMBL12043295 0.87 SIRT6 (0.52) SIRT6SERPINE1MAPTALDH1A1LMNA
SCHEMBL12043236 0.87 SIRT6 (0.50) SIRT6SERPINE1MAPTLMNAHTT
SCHEMBL12043268 0.86 SIRT6 (0.51) SIRT6SERPINE1DRD2TMEM97GAA

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 5 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-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 780/4885MAPT 1648/4885

“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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