SCHEMBL1141935

SCHEMBL1141935

CC(C)(C)OC(=O)NCCc1ccc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.41
▸ CA1 P00915 3/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ NR1H2 P55055 2/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ EEF2K O00418 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ NEK4 P51957 1/20 0.36

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
SCHEMBL1141491 0.90 GRM2 (0.43) CA2CA1NAMPTAKT1NR1H2
SCHEMBL4198509 0.87 PTGER4 (0.41) CA2CA1NAMPTAKT1NR1H2
SCHEMBL4201186 0.85 CA2 (0.38) CA2CA1NAMPTAKT1NR1H2
SCHEMBL1141635 0.84 ALOX5AP (0.35) MAPTLMNASCN9AGRM2ALOX5AP
SCHEMBL1141599 0.83 POLB (0.37) SCN9AGRM2ALOX5APFEN1EEF2K
SCHEMBL1141597 0.82 MAP2K4 (0.36) SCN9AEEF2KROCK2MAP4K4CLK2
SCHEMBL11911441 0.81 MAP2K4 (0.40) MAPTLMNAEEF2KROCK2MAP4K4
SCHEMBL1141632 0.80 MAP2K4 (0.35) SCN9AEEF2KROCK2MAP4K4CLK2
SCHEMBL1141932 0.80 ABCB1 (0.35) MAPTEEF2KROCK2MAP4K4CLK2
SCHEMBL1141589 0.77 GRM2 (0.40) NAMPTAKT1NR1H2MAPTLMNA

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-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 — — US disclosed
EP-2468729-A1 Novel indazole derivative UBE INDUSTRIES, LTD. (JP) 2012-06-27 — — EP disclosed
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2011-02-17 — — US disclosed
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 — — US disclosed
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2009-10-22 — — US disclosed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 — — US disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 — — US disclosed
EP-1679308-A1 NOVEL INDAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2006-07-12 — — EP 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-20090264468-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, RHOT2 CA2 743/4885CA1 3375/4885NAMPT 1822/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 CA2 1567/4885CA1 4768/4885NAMPT 2941/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 CA2 749/4885CA1 3403/4885NAMPT 1697/4885

“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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