SCHEMBL3312906

SCHEMBL3312906

CCc1ccc2c(c1)c(=O)n(CC(=O)O)c(=O)n2CC(=O)Nc1cc(Cl)nc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.51
MAPT P10636 13/20 0.47
MDM2 Q00987 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3311483 0.88 MAPT (0.49) TP53MAPT
SCHEMBL3309833 0.85 MAPT (0.57) TP53MAPTMDM2RXFP1MEN1
SCHEMBL3314277 0.84 MAPT (0.48) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL3316094 0.82 AKR1A1 (0.51) TP53MAPTMDM2RXFP1MEN1
SCHEMBL3308047 0.79 MDM2 (0.63) TP53MAPTMDM2RXFP1MEN1
SCHEMBL3311359 0.77 CNR2 (0.50) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL3313284 0.77 CNR2 (0.49) TP53MAPTMDM2RXFP1MEN1
SCHEMBL22693597 0.77 THRB (0.49) TP53MAPTRXFP1MEN1KMT2A
SCHEMBL3312910 0.74 ALDH1A1 (0.39) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL13361539 0.73 MDM2 (0.59) TP53MAPTMDM2RXFP1MEN1

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 10 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-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
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-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 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
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 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
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 3853/4885MDM2 4568/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 TP53 3836/4885MAPT 4020/4885MDM2 4575/4885

“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.