SCHEMBL5409240

SCHEMBL5409240

CN(CCCC(=O)Nc1ccc2[nH]ncc2c1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.67
ROCK1 Q13464 9/20 0.67
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
NPC1 O15118 2/20 0.54
JAK2 O60674 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC1 Q13547 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53

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
SCHEMBL5418745 0.95 ROCK2 (0.68) ROCK2ROCK1TMEM97SIGMAR1NPC1
SCHEMBL5408159 0.88 ROCK2 (0.64) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL5414796 0.83 ROCK2 (0.87) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL5407770 0.81 ROCK2 (0.66) ROCK2ROCK1CNR1CNR2NPC1
SCHEMBL22590401 0.80 CNR1 (0.77) ROCK2ROCK1CNR1CNR2NPC1
SCHEMBL5414857 0.78 ROCK2 (0.71) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL5413459 0.78 ROCK2 (0.60) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL15147814 0.78 ROCK2 (1.00) ROCK2ROCK1NPC1JAK2RAB9A
SCHEMBL5417979 0.77 CNR1 (0.64) ROCK2ROCK1CNR1CNR2NPC1
SCHEMBL23075124 0.77 CNR1 (0.69) ROCK2ROCK1CNR1CNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885TMEM97 2075/4885

“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.