SCHEMBL3407158

SCHEMBL3407158

CCOC(=O)C(Br)Cc1c(F)ccc2ccc(OC)nc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
MTNR1A P48039 10/20 0.36
MTNR1B P49286 10/20 0.36
NNMT P40261 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.33

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
SCHEMBL3407162 1.00 PTGS2 (0.42) PTGS2MTNR1AMTNR1BNNMTKMT2A
SCHEMBL3412295 0.88 PTGS2 (0.44) PTGS2MTNR1AMTNR1BNNMTKMT2A
SCHEMBL3410325 0.87 PTGS2 (0.43) PTGS2MTNR1AMTNR1BNNMTKMT2A
SCHEMBL3409609 0.81 PTGS2 (0.39) PTGS2MTNR1AMTNR1BNNMTKMT2A
SCHEMBL3411112 0.78 PTGS2 (0.46) PTGS2MTNR1AMTNR1B
SCHEMBL1840714 0.78 PTGS2 (0.39) PTGS2MTNR1AMTNR1BNNMTKMT2A
SCHEMBL28794543 0.78 PTGS2 (0.42) PTGS2MTNR1AMTNR1B
SCHEMBL1840716 0.76 PTGS2 (0.40) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL3408951 0.76 PTGS2 (0.40) PTGS2MTNR1AMTNR1BHTR2C
SCHEMBL3431599 0.76 PTGS2 (0.43) PTGS2MTNR1AMTNR1BHTR2C

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
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 PTGS2 3245/4885MTNR1A 331/4885MTNR1B 1000/4885

“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.