SCHEMBL12043256

SCHEMBL12043256

O=C(CCN1CCN(c2ccccc2Cl)CC1)NC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.48
▸ SERPINE1 P05121 5/20 0.44
▸ DCTPP1 Q9H773 1/20 0.44
▸ DRD2 P14416 5/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.41
▸ CHRM4 P08173 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
SCHEMBL12043269 0.95 SIRT6 (0.47) SIRT6SERPINE1DCTPP1DRD2DRD3
SCHEMBL12043237 0.91 SIRT6 (0.53) SIRT6SERPINE1DRD2DRD3HTR1A
SCHEMBL12043236 0.90 SIRT6 (0.50) SIRT6SERPINE1DRD2DRD3HTR1A
SCHEMBL12043238 0.90 SIRT6 (0.52) SIRT6SERPINE1DRD2DRD3HTR1A
SCHEMBL12059834 0.88 SIRT6 (0.53) SIRT6SERPINE1DRD2DRD3HTR1A
SCHEMBL12043244 0.87 SIRT6 (0.54) SIRT6SERPINE1DRD2DRD3TMEM97
SCHEMBL12043268 0.86 SIRT6 (0.51) SIRT6SERPINE1DRD2DRD3HTR1A
SCHEMBL12043249 0.85 MAPT (0.49) SIRT6DRD2DRD3HTR1ADRD4
SCHEMBL12043264 0.85 SIRT6 (0.50) SIRT6SERPINE1DRD2DRD3HTR1A
SCHEMBL12043261 0.85 SIRT6 (0.52) SIRT6SERPINE1DRD2DRD4TMEM97

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
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 — — US 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 780/4885DCTPP1 165/4885

“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