SCHEMBL3751258

SCHEMBL3751258

O=C(NCc1ccc2c(c1)OCO2)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.60
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.51
PRMT5 O14744 4/20 0.51
WDR77 Q9BQA1 4/20 0.51
RXFP1 Q9HBX9 2/20 0.50
TP53 P04637 1/20 0.50
CLPP Q16740 1/20 0.49
KCNA5 P22460 3/20 0.48

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
SCHEMBL3755617 0.84 KCNA5 (0.68) P2RX7POLBPRMT5WDR77KCNA5
SCHEMBL3750209 0.83 P2RX7 (0.60) P2RX7PRMT5WDR77TP53KCNA5
SCHEMBL3756795 0.83 P2RX7 (0.64) P2RX7POLBPRMT5WDR77KCNA5
SCHEMBL3758555 0.83 P2RX7 (0.59) P2RX7POLBPRMT5WDR77KCNA5
SCHEMBL3750338 0.82 P2RX7 (0.63) P2RX7POLBPRMT5WDR77KCNA5
SCHEMBL3755684 0.82 P2RX7 (0.60) P2RX7POLBPRMT5WDR77KCNA5
SCHEMBL3750024 0.81 CYP1A2 (0.61) CYP1A2POLBCYP3A4CYP2D6CYP2C9
SCHEMBL3762599 0.81 ALDH1A1 (0.66) P2RX7CYP1A2POLBCYP3A4CYP2C9
SCHEMBL3750467 0.81 P2RX7 (0.59) P2RX7POLBPRMT5WDR77KCNA5
SCHEMBL3761072 0.80 ALDH1A1 (0.64) P2RX7POLBTP53KCNA5

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 8 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
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
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 P2RX7 1839/4885CYP1A2 8/4885POLB 2841/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 P2RX7 1138/4885CYP1A2 27/4885POLB 3428/4885

“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.