SCHEMBL2122283

SCHEMBL2122283

COc1ccc(N2CCN(C(=S)COC3CCC(Oc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.41
▸ MAPT P10636 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ PIK3CD O00329 5/20 0.36
▸ PIK3CA P42336 5/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ GFER P55789 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35

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
SCHEMBL2617853 1.00 SIRT6 (0.41) SIRT6MAPTHTTLMNAPHGDH
SCHEMBL2118334 0.92 ENPP2 (0.43) SIRT6MAPTLMNAALDH1A1PIK3CD
SCHEMBL2617826 0.92 ENPP2 (0.43) SIRT6MAPTLMNAALDH1A1PIK3CD
SCHEMBL2120611 0.91 SIRT6 (0.41) SIRT6MAPTLMNAALDH1A1PIK3CD
SCHEMBL2617857 0.91 SIRT6 (0.41) SIRT6MAPTLMNAALDH1A1PIK3CD
SCHEMBL2617869 0.88 SIRT6 (0.40) SIRT6MAPTHTTLMNAPHGDH
SCHEMBL2120935 0.88 SIRT6 (0.40) SIRT6MAPTHTTLMNAPHGDH
SCHEMBL2617806 0.88 SIRT6 (0.40) SIRT6MAPTHTTLMNAPHGDH
SCHEMBL2617861 0.85 AR (0.41) FFAR1PIK3CDPIK3CA
SCHEMBL2118296 0.85 AR (0.41) FFAR1PIK3CDPIK3CA

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 — — US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 — — US disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 — — EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 — — US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 — — 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 SIRT6 1479/4885MAPT 2856/4885HTT 711/4885

“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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