SCHEMBL3242420

SCHEMBL3242420

O=C(NCc1cccc(OC(F)(F)F)c1)c1nc(-c2cc(Br)c(O)c(Br)c2O)cs1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 4/20 0.49
▸ ROCK2 O75116 5/20 0.48
▸ MAPK14 Q16539 1/20 0.46
▸ MMP13 P45452 1/20 0.42
▸ GLS O94925 7/20 0.41
▸ RIPK1 Q13546 3/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ NAMPT P43490 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
SCHEMBL3237497 0.82 MAPK14 (0.44) MAPK14MMP13
SCHEMBL3608651 0.79 ROCK1 (0.60) ROCK1ROCK2MAPK14MMP13GLS
SCHEMBL18352279 0.75 MAPK14 (0.58) ROCK1ROCK2MAPK14MMP13GLS
SCHEMBL29351167 0.75 MAPK14 (0.58) ROCK1ROCK2MAPK14MMP13GLS
SCHEMBL3235973 0.73 THRA (0.39) ROCK2
SCHEMBL29351162 0.72 MAPK14 (0.57) ROCK1ROCK2MAPK14MMP13GLS
SCHEMBL1114287 0.71 ROCK2 (0.52) ROCK1ROCK2MAPK14MMP13GLS
SCHEMBL1114331 0.70 ROCK2 (0.53) ROCK1ROCK2MAPK14MMP13GLS
SCHEMBL3242043 0.70 ROCK1 (0.53) ROCK1ROCK2MAPK14MMP13GLS
SCHEMBL1114587 0.70 ROCK2 (0.48) ROCK1ROCK2MAPK14MMP13GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US claimed
WO-2009131952-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — WO claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-04-22 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
WO-2009131952-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — 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 (3 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ROCK1 2801/4885ROCK2 3358/4885MAPK14 3946/4885
US-20100099677-A1 Compounds, Compositions and Methods Comprising Thiazole Derivatives CFTR, PKD1, PKD2 ROCK1 2497/4885ROCK2 2835/4885MAPK14 4269/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ROCK1 2801/4885ROCK2 3358/4885MAPK14 3946/4885

“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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