SCHEMBL3311370

SCHEMBL3311370

Cc1cccc2c1c(=O)n(CC(=O)O)c(=O)n2CC(=O)N(Cl)c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.44
CNR2 P34972 7/20 0.40
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
CYP2C9 P11712 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
RHEB Q15382 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL3313296 0.85 CNR2 (0.42) CMA1CNR2KDM4EKMT2AMEN1
SCHEMBL3314285 0.85 PTGDR2 (0.39) CMA1APEX1KDM4EKMT2AMEN1
SCHEMBL3309846 0.85 ALDH1A1 (0.46) APEX1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL3311492 0.82 PTGDR2 (0.46) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL3316099 0.80 AKR1B1 (0.48) KDM4EALDH1A1PTGDR2PTGS1
SCHEMBL3312910 0.79 ALDH1A1 (0.39) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL3314289 0.74 S1PR2 (0.42) CNR2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL3311359 0.73 CNR2 (0.50) CMA1CNR2KDM4EKMT2AMEN1
SCHEMBL3311745 0.64 S1PR2 (0.38) KMT2AMEN1MAPTPTGDR2
SCHEMBL11606001 0.61 PTGDR2 (0.49) APEX1KDM4EALDH1A1PTGDR2

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 CMA1 132/4885CNR2 48/4885APEX1 4035/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 CMA1 123/4885CNR2 52/4885APEX1 3687/4885

“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.