SCHEMBL5409835

SCHEMBL5409835

O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]ncc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.63
EPHX2 P34913 3/20 0.57
NR1H4 Q96RI1 1/20 0.57
NAMPT P43490 2/20 0.56
HTR2C P28335 1/20 0.55
ROCK2 O75116 3/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 4/20 0.50
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
METTL3 Q86U44 1/20 0.50
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
ROCK1 Q13464 2/20 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
SCHEMBL5410647 0.89 ROCK2 (0.64) MAOBNAMPTHTR2CROCK2ROCK1
SCHEMBL5441326 0.87 MAOB (0.79) MAOBNR1H4NAMPTROCK2METTL3
SCHEMBL5412553 0.85 MAOB (0.67) MAOBEPHX2NR1H4ROCK2ALDH1A1
SCHEMBL5412689 0.85 MAOB (0.67) MAOBEPHX2NAMPTROCK2CYP2C9
SCHEMBL5405835 0.84 MAOB (0.68) MAOBNAMPTROCK2CYP2C9SMN1; SMN2
SCHEMBL5413102 0.84 MAOB (0.71) MAOBNAMPTROCK2METTL3MAPK1
SCHEMBL5409324 0.83 MAOB (0.72) MAOBEPHX2NAMPTROCK2METTL3
SCHEMBL5417278 0.82 MAOB (0.71) MAOBNAMPTROCK2METTL3MAPK1
SCHEMBL5406113 0.82 MAOB (0.71) MAOBNAMPTROCK2ALDH1A1SMN1; SMN2
SCHEMBL5179231 0.81 MAOB (0.70) MAOBNR1H4NAMPTROCK2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558992-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO Pharmaceutical Co., Ltd. (JP) 2019-10-30 EP claimed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US claimed
WO-2018110669-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 WO claimed
US-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2023-12-26 US disclosed
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 US disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
EP-3558992-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO Pharmaceutical Co., Ltd. (JP) 2019-10-30 EP disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
WO-2018110669-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 WO disclosed
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 (5 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-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels KCNJ11, KCNJ1, KCNJ8 MAOB 2134/4885EPHX2 2514/4885NR1H4 2697/4885
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 MAOB 2134/4885EPHX2 2514/4885NR1H4 2697/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAOB 2025/4885EPHX2 1010/4885NR1H4 1310/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 MAOB 2134/4885EPHX2 2514/4885NR1H4 2697/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 MAOB 2134/4885EPHX2 2514/4885NR1H4 2697/4885

“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.