SCHEMBL11969072

SCHEMBL11969072

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2C=NOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.58
MAOB P27338 1/20 0.58
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 1/20 0.53
KCNH2 Q12809 1/20 0.49
CYP2C9 P11712 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
SCHEMBL11969409 0.87 MAOA (0.73) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL11969148 0.85 MAOA (0.61) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL13428677 0.82 MAOA (0.54) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL11969436 0.82 MAOA (0.54) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL15828760 0.81 MAOA (0.70) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL5838470 0.80 MAOA (0.59) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL11971864 0.80 GRM2 (0.44)
SCHEMBL3325038 0.80 MAOA (0.60) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL11969175 0.80 CALML3 (0.50) MAOAMAOBCYP2C9
SCHEMBL5237196 0.78 MAOA (0.57) MAOAMAOBCYP3A4CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242113-B2 Oxazolidinone derivatives with cyclic amidoxime or cyclic amidrazone pharmaceutical compositions thereof LEGOCHEM BIOSCIENCES, INC. (KR) 2012-08-14 US disclosed
US-8242113-B2 Oxazolidinone derivatives with cyclic amidoxime or cyclic amidrazone pharmaceutical compositions thereof LEGOCHEM BIOSCIENCES, INC. (KR) 2012-08-14 US disclosed
US-20110178293-A1 Novel Oxazolidinone Derivatives with Cyclic Amidoxime or Cyclic Amidrazone and Pharmaceutical Compositions Thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2011-07-21 US disclosed
US-20110178293-A1 Novel Oxazolidinone Derivatives with Cyclic Amidoxime or Cyclic Amidrazone and Pharmaceutical Compositions Thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2011-07-21 US disclosed
WO-2010036000-A2 NOVEL OXAZOLIDINONE DERIVATIVES WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-04-01 WO 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-20110178293-A1 Novel Oxazolidinone Derivatives with Cyclic Amidoxime or Cyclic Amidrazone and Pharmaceutical Compositions Thereof PAM, PYCARD, PEPD MAOA 3476/4885MAOB 3050/4885CYP3A4 593/4885

“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.