SCHEMBL3316099

SCHEMBL3316099

O=C(O)Cn1c(=O)c2ccc(Cl)cc2n(CC(=O)N(Cl)c2ccnc(Cl)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.48
AKR1A1 P14550 1/20 0.48
PTGDR2 Q9Y5Y4 6/20 0.42
PTGS1 P23219 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MCL1 Q07820 1/20 0.36
KMO O15229 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3309846 0.89 ALDH1A1 (0.46) PTGDR2KDM4EALDH1A1
SCHEMBL3314285 0.87 PTGDR2 (0.39) AKR1B1AKR1A1PTGDR2PTGS1MCL1
SCHEMBL3311492 0.85 PTGDR2 (0.46) AKR1B1PTGDR2PTGS1ALDH1A1
SCHEMBL3312910 0.83 ALDH1A1 (0.39) PTGDR2PTGS1KDM4EALDH1A1
SCHEMBL3313296 0.80 CNR2 (0.42) PTGDR2PTGS1KDM4EALDH1A1
SCHEMBL3311370 0.80 CMA1 (0.44) PTGDR2PTGS1KDM4EALDH1A1
SCHEMBL3316094 0.71 AKR1A1 (0.51) AKR1B1AKR1A1HDAC6KDM4E
SCHEMBL18180179 0.68 APEX1 (0.62) AKR1B1AKR1A1PTGDR2KMOKDM4E
SCHEMBL9045063 0.67 ALDH1A1 (0.53) AKR1B1AKR1A1PTGDR2HDAC6HDAC1
SCHEMBL10487904 0.66 AKR1B1 (0.59) AKR1B1AKR1A1PTGDR2HDAC6HDAC1

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 AKR1B1 674/4885AKR1A1 958/4885PTGDR2 95/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 AKR1B1 520/4885AKR1A1 786/4885PTGDR2 107/4885

“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.