SCHEMBL16296362

SCHEMBL16296362

O=c1n(Cc2cccc(F)c2)nnn1-c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.65
ABCB1 P08183 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
IDO1 P14902 1/20 0.44
GRM2 Q14416 1/20 0.44
RORC P51449 1/20 0.43
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16296054 0.88 ROCK2 (0.51) ROCK2IDO1HTTL3MBTL1
SCHEMBL16295442 0.80 ROCK2 (0.54) ROCK2IDO1GRM2
SCHEMBL19643550 0.79 ROCK2 (1.00) ROCK2
SCHEMBL16295467 0.77 ROCK2 (0.47) ROCK2POLBGRM2HTT
SCHEMBL16296374 0.76 ROCK2 (0.52) ROCK2POLBIDO1GRM2RORC
SCHEMBL5906041 0.75 POLB (0.43) ROCK2POLB
SCHEMBL4670086 0.72 ROCK2 (0.61) ROCK2IDO1GRM2
SCHEMBL5906249 0.72 ROCK2 (0.49) ROCK2THRBIDO1GRM2
SCHEMBL5906244 0.72 LMNA (0.48) ROCK2POLBL3MBTL1
SCHEMBL10153249 0.71 NOTUM (0.44) ROCK2POLBIDO1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP claimed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US claimed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 ROCK2 3325/4885ABCB1 86/4885POLB 4244/4885

“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.