SCHEMBL5404528

SCHEMBL5404528

COCCCNC(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAOB P27338 4/20 0.55
METTL3 Q86U44 1/20 0.53
MAOA P21397 1/20 0.52
HPGD P15428 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
ROCK2 O75116 1/20 0.49
MAPK1 P28482 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5415946 0.92 MAOB (0.57) MAOBMETTL3MAOAHPGDNPC1
SCHEMBL14514474 0.86 MAOB (0.58) ALDH1A1MAOBMETTL3MAOAHPGD
SCHEMBL5404361 0.84 MAOB (0.59) MAOBMETTL3MAOANPC1RAB9A
SCHEMBL5415090 0.84 HPGD (0.58) ALDH1A1MAOBMETTL3HPGDNPC1
SCHEMBL5407158 0.83 MAOB (0.60) ALDH1A1MAOBMETTL3HPGDNPC1
SCHEMBL19086030 0.81 MAOB (0.62) MAOBMETTL3MAOANPC1RAB9A
SCHEMBL5413397 0.81 MAOB (0.56) ALDH1A1MAOBMETTL3MAOAHPGD
SCHEMBL5415980 0.81 HTT (0.56) MAOBMETTL3MAOANPC1RAB9A
SCHEMBL6071310 0.81 ALDH1A1 (0.47) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL27836079 0.79 MAOB (0.58) MAOBMETTL3MAOANPC1RAB9A

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 ALDH1A1 3541/4885MAOB 2025/4885METTL3 3310/4885

“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.