SCHEMBL2617872

SCHEMBL2617872

N#Cc1ccc(N2CCN(C(=S)CO[C@H]3CC[C@H](Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
TIPARP Q7Z3E1 13/20 0.42
PANK3 Q9H999 4/20 0.39
SERPINE1 P05121 1/20 0.37

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
SCHEMBL2119134 1.00 AR (0.42) ARTIPARPPANK3SERPINE1
SCHEMBL2617811 1.00 AR (0.42) ARTIPARPPANK3SERPINE1
SCHEMBL2120807 0.92 AR (0.44) ARTIPARPPANK3
SCHEMBL2617849 0.92 AR (0.44) ARTIPARPPANK3
SCHEMBL2617762 0.92 AR (0.44) ARTIPARPPANK3
SCHEMBL2617873 0.90 SERPINE1 (0.47) PANK3SERPINE1
SCHEMBL2119695 0.90 SERPINE1 (0.47) PANK3SERPINE1
SCHEMBL2617809 0.90 SERPINE1 (0.47) PANK3SERPINE1
SCHEMBL2617874 0.89 SERPINE1 (0.38) PANK3SERPINE1
SCHEMBL2121495 0.89 SERPINE1 (0.38) PANK3SERPINE1

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 2 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-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 AR 4346/4885TIPARP 945/4885PANK3 1957/4885

“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.