SCHEMBL3751706

SCHEMBL3751706

[CH2]c1ccc(F)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
METAP2 P50579 1/20 0.40
BACE1 P56817 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.39
TNKS O95271 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAP2K4 P45985 1/20 0.38
AR P10275 1/20 0.38
PTGS1 P23219 2/20 0.36
PPARG P37231 1/20 0.36
PTGS2 P35354 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
SCHEMBL3750242 0.86 PTGS2 (0.41) MAPTHPGDKDM4EALDH1A1PTGS1
SCHEMBL3756093 0.83 GPR3 (0.39) MAPTMETAP2BACE1HTTCYP1A2
SCHEMBL11665495 0.79 BACE1 (0.44) MAPTMETAP2BACE1CYP1A2CYP2A6
SCHEMBL28750832 0.79 AR (0.40) MAPTCYP1A2ARPTGS2
SCHEMBL8470772 0.78 MAPT (0.41) MAPTMETAP2BACE1HTTLMNA
SCHEMBL97189 0.77 MEN1 (0.52) MAPTBACE1HTTLMNAHPGD
SCHEMBL30997630 0.76 MAPT (0.45) MAPTMETAP2BACE1HTTLMNA
SCHEMBL6561402 0.76 PTGS2 (0.46) MAPTMETAP2BACE1PTGS1PTGS2
SCHEMBL11408404 0.74 PTGDR2 (0.49) METAP2BACE1LMNAHPGDKDM4E
SCHEMBL21052203 0.74 ALDH1A1 (0.54) MAPTMETAP2BACE1HTTHPGD

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 MAPT 4504/4885METAP2 2791/4885BACE1 1075/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 MAPT 4244/4885METAP2 3821/4885BACE1 2731/4885

“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.