Sugi Predict

Sugi Predict / Compounds / SCHEMBL3409157

SCHEMBL3409157

SCHEMBL3409157

O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(-c2cc(Cl)c(O)c(Cl)c2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.60
▸ ROCK1 Q13464 4/20 0.52
▸ ROCK2 O75116 4/20 0.52
▸ MAPK14 Q16539 1/20 0.50
▸ ABCB1 P08183 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ RIPK1 Q13546 1/20 0.44
▸ GLS O94925 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL3242363 0.83 ROCK1 (0.51) MAPTROCK1ROCK2MAPK14ABCB1
SCHEMBL3413453 0.79 MAPT (0.54) MAPTMEN1ALDH1A1LMNAGAA
SCHEMBL3414969 0.78 MAPT (0.49) MAPTMAPK1TP53
SCHEMBL690748 0.78 ROCK2 (0.52) ROCK1ROCK2MAPK14ABCB1MMP13
SCHEMBL1114987 0.77 ROCK2 (0.51) ROCK1ROCK2MAPK14ABCB1MMP13
SCHEMBL3242043 0.77 ROCK1 (0.53) ROCK1ROCK2MAPK14ABCB1MMP13
SCHEMBL3414332 0.76 PPARG (0.56) MAPTMEN1ALDH1A1LMNAGAA
SCHEMBL4853151 0.74 ROCK2 (0.64) MAPTROCK1ROCK2MAPK14MMP13
SCHEMBL2212039 0.74 ABCB1 (0.51) ROCK1ROCK2MAPK14ABCB1MMP13
SCHEMBL21756725 0.72 MAPK14 (0.58) ROCK1ROCK2MAPK14ABCB1MMP13

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
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US claimed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — US claimed
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US disclosed
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US disclosed
US-8343976-B2 Compounds, compositions and methods comprising pyrazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2013-01-01 — — US disclosed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — US disclosed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — US disclosed
US-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 — — 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-20100267741-A1 Compounds, Compositions and Methods Comprising Pyrazole Derivatives CFTR, PKD2, PKD1 MAPT 4806/4885ROCK1 2706/4885ROCK2 2671/4885

“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.