SCHEMBL3748931

SCHEMBL3748931

[CH2]c1cc(F)ccc1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.37
PTGS1 P23219 2/20 0.37
TDO2 P48775 1/20 0.35
NR4A2 P43354 1/20 0.34
MAPK14 Q16539 4/20 0.34
GCGR P47871 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RPS6KA3 P51812 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL3756093 0.86 GPR3 (0.39) MAPK14GCGRGPR3
SCHEMBL3750242 0.81 PTGS2 (0.41) PTGS2PTGS1TDO2CA1CA2
SCHEMBL2322237 0.76 PTGS2 (0.47) PTGS2PTGS1TDO2NR4A2MAPK14
SCHEMBL9057929 0.75 ALDH1A1 (0.52) PTGS2PTGS1CA1CA2APP
SCHEMBL14831922 0.73 CA3 (0.54) PTGS2PTGS1CA1CA2CA9
SCHEMBL2094489 0.73 TTR (0.46) PTGS2CA1CA2APPCYP3A4
SCHEMBL1262207 0.71 GRM2 (0.48) PTGS2MAPK14GCGRNPC1RAB9A
SCHEMBL3748937 0.71 PDE3B (0.46) PTGS2MAPK14GCGR
SCHEMBL31067069 0.71 GRM2 (0.48) PTGS2MAPK14GCGRNPC1RAB9A
SCHEMBL15213953 0.71 MAPK14 (0.41) PTGS2PTGS1TDO2NR4A2MAPK14

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 PTGS2 3155/4885PTGS1 2684/4885TDO2 2308/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PTGS2 1379/4885PTGS1 1312/4885TDO2 909/4885

“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.