SCHEMBL3749043

SCHEMBL3749043

[CH2]c1ccc(F)c(C(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ERN1 O75460 2/20 0.38
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
MTOR P42345 2/20 0.36
PIK3CA P42336 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL8566777 0.81 CES2 (0.61) ARKMT2AALDH1A1CES2CES1
SCHEMBL31270828 0.81 CES2 (0.61) ARKMT2AALDH1A1CES2CES1
SCHEMBL3749047 0.79 AR (0.48) ARKMT2AALDH1A1CES2CES1
SCHEMBL254680 0.79 HPGD (0.55) ARKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5906549 0.78 AR (0.47) ARKMT2APOLBALDH1A1CES2
SCHEMBL758585 0.78 ALDH1A1 (0.64) ARKMT2AALDH1A1CES2CES1
SCHEMBL1477538 0.78 MAP2K2 (0.49) ARKMT2APOLBALDH1A1CES2
SCHEMBL18547238 0.76 CES2 (0.43) ALDH1A1CES2CES1SMN1; SMN2
SCHEMBL10289686 0.75 HSP90AA1 (0.46) ARKMT2AALDH1A1ERN1MEN1
SCHEMBL9970968 0.75 AR (0.45) ARALDH1A1ERN1MTORPIK3CA

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 AR 3330/4885KMT2A 3483/4885POLB 2841/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 AR 2720/4885KMT2A 3979/4885POLB 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.