SCHEMBL5956732

SCHEMBL5956732

O=C(NC1CCOc2cc(C(=O)NSc3ccncc3)ccc21)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.40
POLB P06746 1/20 0.39
TBXA2R P21731 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAAA Q02083 1/20 0.37
ACHE P22303 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
SCHEMBL5956646 0.87 POLB (0.51) ROCK2POLBRAB9A
SCHEMBL5956673 0.83 USP30 (0.39) ROCK2ROCK1
SCHEMBL5956854 0.82 TBXA2R (0.48) TBXA2RALDH1A1GAARAB9ANAAA
SCHEMBL5956587 0.82 JAK2 (0.43) ROCK2TBXA2RROCK1HDAC8NAAA
SCHEMBL5956630 0.81 TBXA2R (0.34) ROCK2TBXA2RROCK1ALDH1A1GAA
SCHEMBL5956658 0.80 ALDH1A1 (0.44) ALDH1A1GAAHPGDRAB9AACHE
SCHEMBL5956731 0.77 DGAT1 (0.33) ROCK2TBXA2RHPGDRAB9AHSD17B10
SCHEMBL4442650 0.76 MAPT (0.44) ROCK2ROCK1ALDH1A1GAARAB9A
SCHEMBL2851538 0.76 MAPT (0.44) ROCK2ROCK1ALDH1A1GAARAB9A
SCHEMBL5956871 0.76 MAPT (0.44) ROCK2ROCK1ALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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 (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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 ROCK2 1/4885POLB 3152/4885TBXA2R 1428/4885

“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.