SCHEMBL3307499

SCHEMBL3307499

COc1ccc(N(OC)C(=O)Cn2c(=O)n(-c3ccc(CC(=O)O)cc3)c(=O)c3ccccc32)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 3/20 0.51
RECQL P46063 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 2/20 0.44
S1PR2 O95136 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3309195 0.89 TP53 (0.53) SMN1; SMN2MAPK1LMNAKMT2AMEN1
SCHEMBL3311088 0.85 S1PR2 (0.56) MAPTS1PR2
SCHEMBL3303629 0.81 S1PR2 (0.57) MAPTS1PR2
SCHEMBL3307430 0.79 TP53 (0.48) SMN1; SMN2LMNAKMT2AMEN1RXFP1
SCHEMBL3307491 0.79 S1PR2 (0.69) SMN1; SMN2MAPTS1PR2
SCHEMBL3311665 0.78 S1PR2 (0.58) SMN1; SMN2ALDH1A1MAPTS1PR2POLB
SCHEMBL3312112 0.74 S1PR2 (0.48) MAPTS1PR2
SCHEMBL3313378 0.74 S1PR2 (0.50) RXFP1MAPTS1PR2POLBGAA
SCHEMBL3309825 0.73 S1PR2 (0.43) RXFP1MAPTS1PR2
SCHEMBL3309916 0.73 CMA1 (0.43) RXFP1MAPTS1PR2

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 3 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

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 SMN1; SMN2 4130/4885MAPK1 2582/4885LMNA 2806/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 SMN1; SMN2 4399/4885MAPK1 3021/4885LMNA 2919/4885

“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.