SCHEMBL4012838

SCHEMBL4012838

CC(C)(C)[SiH2]OC(C)(C)c1cn(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.41
MAOB P27338 10/20 0.41
CALML3 P27482 2/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
SDHA P31040 1/20 0.40
KCNH2 Q12809 1/20 0.40
F10 P00742 2/20 0.39

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
SCHEMBL3753825 1.00 MAOA (0.41) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3757477 0.91 CALML3 (0.48) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3755981 0.88 MAOB (0.43) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL4011936 0.86 MAOA (0.55) MAOAMAOBKCNH2
SCHEMBL4013233 0.82 MAOA (0.46) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL4012835 0.81 MAOA (0.41) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3753819 0.81 MAOA (0.41) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL13939823 0.81 MAOB (0.44) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL13939841 0.79 CYP2C19 (0.44) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL4012830 0.78 MAOA (0.40) MAOAMAOBCALML3LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 US disclosed
US-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1497286-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-01-19 EP disclosed
WO-2003072575-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-09-04 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-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents H1-0, NGLY1, H1-5 MAOA 1576/4885MAOB 992/4885CALML3 3848/4885

“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.