SCHEMBL3756422

SCHEMBL3756422

O=C(NC1CCCC1)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.77
THRB P10828 1/20 0.62
F2 P00734 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
MCHR1 Q99705 1/20 0.61
MAPT P10636 2/20 0.59
TSHR P16473 3/20 0.59
GAA P10253 1/20 0.57
P2RX7 Q99572 1/20 0.57
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNA5 P22460 1/20 0.54

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
SCHEMBL3762625 0.86 TP53 (0.57) TP53THRBF2P2RX7KCNA5
SCHEMBL3753198 0.82 KCNA5 (0.77) TP53P2RX7KCNA5
SCHEMBL3756564 0.80 TP53 (0.77) TP53THRBF2NPSR1MCHR1
SCHEMBL3761072 0.80 ALDH1A1 (0.64) TP53P2RX7ALDH1A1KCNA5
SCHEMBL3753648 0.80 TP53 (0.76) TP53THRBF2NPSR1MCHR1
SCHEMBL3745806 0.79 TP53 (0.81) TP53THRBF2NPSR1MCHR1
SCHEMBL3755617 0.79 KCNA5 (0.68) P2RX7ALDH1A1KCNA5
SCHEMBL1888719 0.77 P2RX7 (0.81) P2RX7KCNA5
SCHEMBL3751261 0.77 P2RX7 (0.68) TP53P2RX7KCNA5
SCHEMBL3751258 0.77 P2RX7 (0.60) TP53GAAP2RX7KCNA5

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 TP53 3912/4885THRB 1799/4885F2 200/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TP53 3602/4885THRB 1412/4885F2 382/4885

“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.