SCHEMBL5402078

SCHEMBL5402078

O=C(NCCN1CCNCC1)c1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
MAOB P27338 2/20 0.51
PARP1 P09874 1/20 0.51
METTL3 Q86U44 1/20 0.49
HTR1A P08908 7/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRIN2B Q13224 1/20 0.47
SUV39H1 O43463 1/20 0.46
PRMT1 Q99873 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
HTR4 Q13639 1/20 0.46

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
SCHEMBL5407298 0.91 ROCK2 (0.54) ROCK2ROCK1MAOBPARP1METTL3
SCHEMBL5419440 0.90 CYP1A2 (0.55) ROCK2ROCK1MAOBPARP1METTL3
SCHEMBL5419575 0.88 CYP1A2 (0.65) MAOBPARP1HTR1ACYP1A2CYP2D6
SCHEMBL5411088 0.85 ROCK2 (0.73) ROCK2ROCK1MAOBHTR1AGRIN2B
SCHEMBL22064075 0.80 ALDH1A1 (0.61) MAOBHTR1AKDM4EGAAHSD17B10
SCHEMBL5419738 0.80 ITGB3 (0.56) ROCK2ROCK1MAOBMETTL3CYP2D6
SCHEMBL10109309 0.80 PARP1 (0.51) PARP1HTR1AKDM4EGAAHSD17B10
SCHEMBL5407158 0.79 MAOB (0.60) ROCK2ROCK1MAOBMETTL3KDM4E
SCHEMBL5404361 0.78 MAOB (0.59) ROCK2ROCK1MAOBMETTL3L3MBTL1
SCHEMBL5412987 0.77 MAOB (0.56) ROCK2ROCK1MAOBMETTL3

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 1/4885MAOB 2025/4885

“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.