SCHEMBL4487322

SCHEMBL4487322

O=C1O[C@@H](Cn2cc(CBr)nn2)CN1c1ccc(I)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.56
KCNH2 Q12809 3/20 0.50
MAOB P27338 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CALML3 P27482 1/20 0.42

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
SCHEMBL4488687 0.91 MAOA (0.57) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL4485393 0.90 MAOA (0.65) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL16737257 0.90 MAOA (0.65) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL16737223 0.89 MAOA (0.57) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL16737224 0.89 MAOA (0.57) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL3370191 0.88 MAOA (0.63) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL16737226 0.88 MAOA (0.55) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL16737227 0.88 MAOA (0.55) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL12956122 0.87 MAOA (0.56) MAOAKCNH2MAOBCYP3A4CYP2D6
SCHEMBL3326714 0.86 MAOA (0.70) MAOAKCNH2MAOBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498350-B2 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-7498350-B2 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-7498350-B2 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2009-03-03 US disclosed
EP-1599471-B1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2008-05-28 EP disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060116386-A1 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 EP disclosed
EP-1572688-A1 OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-09-14 EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 WO disclosed
WO-2004056817-A1 OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2004-07-08 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 (3 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-20060116386-A1 Oxazolidinones as antibacterial agents MRPL21, MRPS23, DPP3 MAOA 279/4885KCNH2 1224/4885MAOB 120/4885
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents NR0B1, NR0B2, CYP8B1 MAOA 519/4885KCNH2 3667/4885MAOB 331/4885
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 MAOA 1154/4885KCNH2 1197/4885MAOB 1493/4885

“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.