SCHEMBL12043268

SCHEMBL12043268

O=C(CCCN1CCN(c2ccccc2)CC1)NC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.51
▸ TMEM97 Q5BJF2 4/20 0.47
▸ GAA P10253 1/20 0.44
▸ DRD2 P14416 5/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ SERPINE1 P05121 3/20 0.44
▸ CACNA1G O43497 2/20 0.43
▸ DRD3 P35462 2/20 0.43

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
SCHEMBL12043237 0.95 SIRT6 (0.53) SIRT6TMEM97DRD2HTR1AHTR2A
SCHEMBL9984436 0.93 SIRT6 (0.51) SIRT6TMEM97DRD2HTR1ASERPINE1
SCHEMBL12043249 0.93 MAPT (0.49) SIRT6TMEM97DRD2HTR1AHTR2A
SCHEMBL12043295 0.92 SIRT6 (0.52) SIRT6TMEM97DRD2SERPINE1CACNA1G
SCHEMBL12043264 0.92 SIRT6 (0.50) SIRT6TMEM97DRD2HTR1AHTR2A
SCHEMBL12043269 0.91 SIRT6 (0.47) SIRT6TMEM97DRD2HTR1AHTR2A
SCHEMBL12059676 0.91 SIRT6 (0.51) SIRT6TMEM97GAADRD2HTR1A
SCHEMBL12059471 0.90 SIRT6 (0.50) SIRT6DRD2HTR1AHTR2ACACNA1G
SCHEMBL12059834 0.88 SIRT6 (0.53) SIRT6TMEM97DRD2HTR1ASERPINE1
SCHEMBL12043236 0.87 SIRT6 (0.50) SIRT6DRD2HTR1ACHRM4SERPINE1

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
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 1314/4885TMEM97 3893/4885GAA 749/4885

“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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