SCHEMBL4816836

SCHEMBL4816836

O=[N+]([O-])c1cccc2c1C=CCN2C(O)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.31
ENPP2 Q13822 2/20 0.31
MEN1 O00255 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
MITF O75030 1/20 0.30
MAPK1 P28482 1/20 0.30
CCR6 P51684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL30722039 0.75 GAA (0.47) GPR35TDP1ALDH1A1TSHRGAA
SCHEMBL1199922 0.75 GAA (0.47) GPR35TDP1ALDH1A1TSHRGAA
SCHEMBL28660776 0.70 POLB (0.41) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL4816842 0.69 GPR35 (0.35) GPR35L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL29379655 0.63 MAPT (0.37) GPR35L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL28298086 0.62 GPR35 (0.36) GPR35L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL11817643 0.62 TDP1 (0.45) GPR35TDP1ALDH1A1TSHRGAA
Propylene Glycol SCHEMBL27947996 0.61 ALDH1A1 (0.50) GPR35TDP1ALDH1A1TSHRKMT2A
SCHEMBL2076686 0.61 HTT (0.61) L3MBTL1ALDH1A1GAAKMT2AENPP2
SCHEMBL29834848 0.60 CYP1A2 (0.54) GPR35TDP1ALDH1A1TSHRKMT2A

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-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 GPR35 2836/4885L3MBTL1 4633/4885TDP1 3228/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 GPR35 2836/4885L3MBTL1 4633/4885TDP1 3228/4885

“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.