SCHEMBL3750096

SCHEMBL3750096

O=C(Nc1ccccc1)C1c2ccccc2C(=O)N1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL3753622 0.76 GAA (0.57) GAAPOLBALDH1A1KDM4ECYP3A4
SCHEMBL10038039 0.72 RAB9A (0.76) GAAPOLBALDH1A1KDM4EMAPT
SCHEMBL31653962 0.71 MEN1 (0.47) GAAPOLBLMNASMN1; SMN2KMT2A
SCHEMBL10153609 0.71 MEN1 (0.47) GAAPOLBLMNASMN1; SMN2KMT2A
SCHEMBL8280317 0.70 MEN1 (0.59) GAAMAPTLMNASMN1; SMN2KMT2A
SCHEMBL3704673 0.70 HDAC6 (0.63) GAAPOLBALDH1A1MAPTLMNA
SCHEMBL31098689 0.69 RAB9A (0.69) GAAPOLBALDH1A1KDM4EMAPT
SCHEMBL31098810 0.69 RAB9A (0.69) GAAPOLBALDH1A1KDM4EMAPT
SCHEMBL10551047 0.69 GAA (0.51) GAAPOLBALDH1A1KDM4EMAPT
SCHEMBL14205089 0.68 GAA (0.58) GAAPOLBALDH1A1KDM4EMAPT

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 GAA 3997/4885POLB 2841/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GAA 4674/4885POLB 3428/4885ALDH1A1 310/4885

“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.