SCHEMBL3756905

SCHEMBL3756905

[CH2]c1ccccc1-c1ccc(F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
KCNA5 P22460 1/20 0.39
HSD11B1 P28845 2/20 0.38
FLT3 P36888 2/20 0.38
FABP1 P07148 1/20 0.37
S1PR1 P21453 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
BACE1 P56817 1/20 0.35
PDK2 Q15119 1/20 0.35
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL3756908 0.84 S1PR1 (0.46) GPR3KCNA5HSD11B1FLT3FABP1
SCHEMBL14039912 0.81 PDE3B (0.44) GPR3KCNA5PDE3BPDE3AACHE
SCHEMBL2094879 0.80 ELANE (0.45) MAPTKDM4EALOX15PDK2CYP2A6
SCHEMBL1432534 0.80 GPR3 (0.42) GPR3FLT3PDK2CYP1A2CYP2A6
SCHEMBL2489512 0.77 TSHR (0.45) CYP1A2ACHE
SCHEMBL3755860 0.76 PTPN1 (0.46) GPR3POLBPDK2CYP1A2CYP2A6
SCHEMBL2092223 0.75 NQO2 (0.38) MAPTKDM4EPOLBACHE
SCHEMBL17038887 0.74 FABP1 (0.40) GPR3KCNA5HSD11B1FLT3FABP1
SCHEMBL15856465 0.74 CA12 (0.51) GPR3KCNA5FABP1S1PR1KDM4E
SCHEMBL3756100 0.74 ESR2 (0.59) GPR3PDE3BPDE3ABACE1CYP2A6

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 GPR3 2970/4885KCNA5 69/4885HSD11B1 1493/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GPR3 1523/4885KCNA5 72/4885HSD11B1 1128/4885

“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.