SCHEMBL5407358

SCHEMBL5407358

c1ccc(COc2ccc3[nH]ncc3c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
PARP10 Q53GL7 1/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
DYRK3 O43781 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5R1 Q15078 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
SCHEMBL2570284 0.81 CDC7 (0.61) MAOBKDM4EALDH1A1ROCK2ROCK1
SCHEMBL5412764 0.80 PDE10A (0.60)
SCHEMBL18392981 0.79 MAPT (0.52) MAOAKDM4EALDH1A1SMN1; SMN2CTNNB1
SCHEMBL21199309 0.79 MAPT (0.59) MAOAKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL5415318 0.77 MAOB (0.59) MAOBCYP11B1MAOAKDM4EALDH1A1
SCHEMBL5411121 0.77 MAOB (0.47) MAOBKDM4EALDH1A1SMN1; SMN2CTNNB1
SCHEMBL5423928 0.77 MAOB (0.56) MAOBCYP11B1MAOAROCK2ROCK1
SCHEMBL5415150 0.77 DYRK3 (0.53) MAOBKDM4EALDH1A1CTNNB1WNT3A
SCHEMBL1367728 0.74 KDM4E (0.49) CYP11B1CYP11B2MAOAKDM4EALDH1A1
SCHEMBL3537344 0.74 RAB9A (0.60) MAOBKDM4EALDH1A1ROCK2ROCK1

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 2025/4885CYP11B1 657/4885CYP11B2 964/4885

“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.