SCHEMBL21361206

SCHEMBL21361206

CCCCCCC(CCC)c1cccnc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
PPARG P37231 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
FAAH O00519 2/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 2/20 0.36
SLC6A3 Q01959 2/20 0.36
IDO1 P14902 1/20 0.35
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
APLNR P35414 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL22541388 0.99 PPARA (0.41) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL20738909 0.97 PPARA (0.41) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL19578800 0.94 PPARA (0.41) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL24608668 0.91 PPARG (0.38) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL22541366 0.90 PPARA (0.38) PPARAPPARGFAAHSLC6A2SLC6A4
SCHEMBL20738344 0.85 IDO1 (0.39) PPARAPPARGFAAHSLC6A2SLC6A4
SCHEMBL21015050 0.85 SLC6A2 (0.39) PPARAPPARGFAAHSLC6A2SLC6A4
SCHEMBL19578799 0.84 PPARG (0.38) PPARAPPARGFAAHSLC6A2SLC6A4
SCHEMBL31287576 0.82 PPARG (0.49) PPARAPPARGSLC6A2SLC6A4CYP2D6
SCHEMBL19697159 0.81 CYSLTR2 (0.39) CYSLTR2CYSLTR1FAAH

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-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 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 (2 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT PPARA 215/4885PPARG 198/4885CYSLTR2 452/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT PPARA 215/4885PPARG 198/4885CYSLTR2 452/4885

“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.