SCHEMBL3313296

SCHEMBL3313296

Cc1cccc2c(=O)n(CC(=O)O)c(=O)n(CC(=O)N(Cl)c3ccnc(Cl)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
CYP2C9 P11712 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
CMA1 P23946 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 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
SCHEMBL3311370 0.85 CMA1 (0.44) CNR2MEN1KMT2APTGDR2CYP2C9
SCHEMBL3314285 0.85 PTGDR2 (0.39) MEN1KMT2APTGDR2CYP2C9PTGS1
SCHEMBL3309846 0.85 ALDH1A1 (0.46) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL3311492 0.82 PTGDR2 (0.46) MEN1KMT2APTGDR2CYP2C9PTGS1
SCHEMBL3316099 0.80 AKR1B1 (0.48) PTGDR2PTGS1KDM4EALDH1A1
SCHEMBL3312910 0.79 ALDH1A1 (0.39) MEN1KMT2APTGDR2PTGS1KDM4E
SCHEMBL3314289 0.74 S1PR2 (0.42) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL3313284 0.73 CNR2 (0.49) CNR2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL21027280 0.65 GLA (0.56) MEN1KMT2ATDP1L3MBTL1PTGDR2
SCHEMBL4558640 0.61 APEX1 (0.49) PTGDR2KDM4EALDH1A1MAPT

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 CNR2 48/4885MEN1 3098/4885KMT2A 2397/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 CNR2 52/4885MEN1 3202/4885KMT2A 2194/4885

“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.