SCHEMBL3755924

SCHEMBL3755924

[CH2]c1ccccc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
PTGS1 P23219 3/20 0.54
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CHRM1 P11229 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
EPHB4 P54760 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
FYN P06241 1/20 0.39
SLC9A1 P19634 1/20 0.39
TDP2 O95551 1/20 0.38
PIK3CA P42336 2/20 0.38
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
RPA1 P27694 1/20 0.37
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL2094240 0.85 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL3750009 0.82 MAOB (0.42) PTGS2PTGS1CREBBP
SCHEMBL31067152 0.82 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1CHRM1
SCHEMBL20898128 0.82 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1CHRM1
SCHEMBL3749076 0.82 AHR (0.54) ADORA1
SCHEMBL397260 0.78 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1EPHB4
SCHEMBL31161110 0.78 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1EPHB4
SCHEMBL3755926 0.78 PTGS2 (0.58) PTGS2PTGS1BRD4CREBBPFYN
SCHEMBL31232639 0.78 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1CHRM1
SCHEMBL2688189 0.76 CYP1A2 (0.50) PTGS2PTGS1

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 2684/4885ADORA2A 1096/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PTGS2 1379/4885PTGS1 1312/4885ADORA2A 551/4885

“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.