SCHEMBL3303804

SCHEMBL3303804

O=C(O)Cn1c(=O)n(-c2ccc(CC(=O)NCCc3ccccc3)cc2)c(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.54
MAPT P10636 8/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL3316373 0.87 TP53 (0.53) TP53MAPTMEN1KMT2APOLB
SCHEMBL3309193 0.86 MAPT (0.63) TP53MAPTMEN1KMT2APOLB
SCHEMBL3311352 0.81 MAPT (0.60) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3309188 0.80 S1PR2 (0.66) TP53
SCHEMBL13332657 0.80 TP53 (0.53) TP53MAPTMEN1KMT2APOLB
SCHEMBL3307423 0.79 S1PR2 (0.57) TP53MAPTMEN1KMT2APOLB
SCHEMBL3307430 0.79 TP53 (0.48) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3309195 0.78 TP53 (0.53) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3307139 0.72 POLB (0.60) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL27934612 0.72 MAPT (0.48) TP53MAPTMEN1KMT2APOLB

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-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 US disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 TP53 3640/4885MAPT 3853/4885MEN1 3098/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 TP53 3836/4885MAPT 4020/4885MEN1 3202/4885

“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.