SCHEMBL5405836

SCHEMBL5405836

N#Cc1ccc(COc2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.58
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
CYP3A4 P08684 1/20 0.50
CYP11B1 P15538 4/20 0.49
MAOA P21397 4/20 0.48
CDC7 O00311 1/20 0.47
SCN7A Q01118 1/20 0.46
KCNH2 Q12809 1/20 0.46
ROCK2 O75116 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL5410948 0.86 CYP4F2 (0.57) MAOBCYP4F2CYP4A11CYP11B1MAOA
SCHEMBL5409358 0.82 MAOB (0.61) MAOBCDC7ROCK2RAB9AMEN1
SCHEMBL2570284 0.82 CDC7 (0.61) MAOBCYP3A4CDC7ROCK2RAB9A
SCHEMBL5415318 0.81 MAOB (0.59) MAOBCYP11B1MAOACDC7ROCK2
SCHEMBL5412496 0.77 TRPA1 (0.54) MAOBCDC7KCNH2ROCK2
SCHEMBL774832 0.76 TRPA1 (0.54) MAOBMAOAROCK2RAB9AMEN1
SCHEMBL29740998 0.76 TRPA1 (0.54) MAOBMAOAROCK2RAB9AMEN1
SCHEMBL29741480 0.76 MAOB (0.81) MAOBCYP4F2CYP4A11CYP3A4MAOA
SCHEMBL18664184 0.76 MAOB (0.81) MAOBCYP4F2CYP4A11CYP3A4MAOA
SCHEMBL29941810 0.76 MAOB (0.70) MAOBCYP3A4MAOASCN7AKCNH2

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 MAOB 2025/4885CYP4F2 3069/4885CYP4A11 1289/4885

“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.