SCHEMBL5238263

SCHEMBL5238263

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(C2=CCSCC2)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.72
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 1/20 0.64
MAOB P27338 1/20 0.59
KCNH2 Q12809 1/20 0.55
CYP2C9 P11712 1/20 0.54

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
SCHEMBL6643429 0.92 MAOA (0.87) MAOACYP3A4CYP2D6MAOB
SCHEMBL5229080 0.89 MAOA (0.56) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL5742018 0.89 MAOA (0.56) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL3328495 0.86 CYP3A4 (0.79) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL3328501 0.86 CYP3A4 (0.79) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL3328493 0.86 CYP3A4 (0.79) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL5230733 0.84 MAOA (0.72) MAOACYP3A4CYP2D6MAOBKCNH2
Hydrochloric Acid SCHEMBL7162375 0.84 MAOA (0.72) MAOACYP3A4CYP2D6MAOBKCNH2
Hydrochloric Acid SCHEMBL5232921 0.84 MAOA (0.72) MAOACYP3A4CYP2D6MAOBKCNH2
SCHEMBL5229975 0.84 MAOA (1.00) MAOACYP3A4CYP2D6MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286998-B2 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2007-10-31 EP disclosed
EP-1286998-B2 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2007-10-31 EP disclosed
US-7141583-B2 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2006-11-28 US disclosed
EP-1385844-B1 OXAZOLIDINONES CONTAINING A SULFONIMID GROUP AS ANTIBIOTICS ASTRAZENECA AB (SE) 2006-07-05 EP disclosed
US-20050032861-A1 Oxazolidines containing a sulfonimid group as antibiotics ASTRAZENECA AB (SE) 2005-02-10 US disclosed
EP-1286998-B1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2004-06-09 EP disclosed
EP-1385844-A1 OXAZOLIDINONES CONTAINING A SULFONIMID GROUP AS ANTIBIOTICS Astrazeneca AB (SE) 2004-02-04 EP disclosed
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1286998-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2002081470-A1 OXAZOLIDINONES CONTAINING A SULFONIMID GROUP AS ANTIBIOTICS ASTRAZENECA AB (SE) 2002-10-17 WO disclosed
WO-2001081350-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2001-11-01 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 (2 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-20050032861-A1 Oxazolidines containing a sulfonimid group as antibiotics SULT1E1, STS, OXA1L MAOA 963/4885CYP3A4 46/4885CYP2D6 11/4885
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity STS, SULT1E1, OXA1L MAOA 2239/4885CYP3A4 44/4885CYP2D6 7/4885

“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.