SCHEMBL5409358

SCHEMBL5409358

NCc1ccc(COc2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.61
CDC7 O00311 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
ROCK1 Q13464 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL5421994 0.91 MAOB (0.60) MAOBCDC7ROCK2ROCK1HTR1A
SCHEMBL2570284 0.85 CDC7 (0.61) MAOBCDC7KDM4EROCK2ALDH1A1
SCHEMBL5415318 0.84 MAOB (0.59) MAOBCDC7MEN1KMT2AKDM4E
SCHEMBL5405836 0.82 MAOB (0.58) MAOBCDC7MEN1KMT2AROCK2
SCHEMBL5411121 0.81 MAOB (0.47) MAOBCDC7MEN1KMT2AKDM4E
SCHEMBL264211 0.80 ROCK2 (0.58) MAOBMEN1KMT2AKDM4EROCK2
SCHEMBL29728756 0.80 ROCK2 (0.58) MAOBMEN1KMT2AKDM4EROCK2
SCHEMBL5423928 0.78 MAOB (0.56) MAOBCDC7ROCK2ROCK1
SCHEMBL5408031 0.78 MEN1 (0.42) MAOBMEN1KMT2AKDM4EROCK2
SCHEMBL5410948 0.77 CYP4F2 (0.57) MAOBCDC7ROCK2

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 2025/4885CDC7 754/4885MEN1 2593/4885

“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.