SCHEMBL1141609

SCHEMBL1141609

COC(=O)Cc1c(NC(=O)OC(C)(C)C)ccc2nn(C3CCCCO3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.35
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ATR Q13535 3/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 2/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL1141291 0.89 ABL1 (0.35) ABL1KDM4EALDH1A1RAB9ANPC1
SCHEMBL13775461 0.85 ABL1 (0.35) ABL1KDM4EALDH1A1RAB9ANPC1
SCHEMBL11911432 0.82 ABL1 (0.41) ABL1KDM4EALDH1A1RAB9ANPC1
SCHEMBL1141879 0.82 ABL1 (0.34) ABL1ATRBRAF
SCHEMBL1141792 0.82 PDE8B (0.37) ABL1KDM4EALDH1A1RAB9ANPC1
SCHEMBL1141798 0.79 ABL1 (0.36) ABL1KDM4EALDH1A1RAB9ANPC1
SCHEMBL5812270 0.78 ABL1 (0.34) ABL1ATRBRAFKRASRORC
SCHEMBL5821921 0.76 CNR2 (0.35) ABL1KDM4EALDH1A1RAB9ANPC1
SCHEMBL1142077 0.75 ABL1 (0.35) ABL1ATRKRASMCL1CD274
SCHEMBL5808054 0.74 ABL1 (0.34) ABL1ATRKMT2AL3MBTL1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1679308-B1 NOVEL INDAZOLE DERIVATIVE UBE INDUSTRIES (JP) 2013-07-24 EP disclosed
EP-1679308-B1 NOVEL INDAZOLE DERIVATIVE UBE INDUSTRIES (JP) 2013-07-24 EP disclosed
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 US disclosed
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
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-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-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-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-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
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 ABL1 72/4885KDM4E 2890/4885ALDH1A1 4395/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 ABL1 39/4885KDM4E 1115/4885ALDH1A1 2147/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 ABL1 67/4885KDM4E 2900/4885ALDH1A1 4384/4885

“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.