SCHEMBL3307423

SCHEMBL3307423

COc1cc(Cl)c(C)cc1NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NCCc3ccccc3)cc2)c(=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.57
TP53 P04637 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.56
THRB P10828 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL3309188 0.93 S1PR2 (0.66) S1PR2TP53
SCHEMBL3307491 0.82 S1PR2 (0.69) S1PR2MAPT
SCHEMBL3309193 0.81 MAPT (0.63) TP53MEN1KMT2ALMNAPOLB
SCHEMBL14068493 0.81 S1PR2 (0.68) S1PR2TP53POLBMAPT
SCHEMBL13361536 0.81 S1PR2 (0.70) S1PR2TP53KDM4EPOLBMAPT
SCHEMBL3307430 0.81 TP53 (0.48) TP53MEN1KMT2AKDM4ETHRB
SCHEMBL3307065 0.80 KDM4E (0.74) S1PR2TP53MEN1KMT2AKDM4E
SCHEMBL13361508 0.80 MEN1 (0.78) TP53MEN1KMT2AKDM4ETHRB
SCHEMBL3309195 0.80 TP53 (0.53) S1PR2TP53MEN1KMT2AKDM4E
SCHEMBL3311661 0.80 S1PR2 (0.84) S1PR2TP53POLBMAPT

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 9 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-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 S1PR2 3/4885TP53 3640/4885MEN1 3098/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 S1PR2 3/4885TP53 3836/4885MEN1 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.