SCHEMBL3753450

SCHEMBL3753450

CCOc1ccccc1CCN1C(=O)c2ccccc2C1C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 1/20 0.51
THRB P10828 1/20 0.49
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.46
MTNR1A P48039 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3745745 0.89 FAAH (0.48) KMT2AMEN1CDK4CCND1MAPT
SCHEMBL3750207 0.88 SCN9A (0.49)
SCHEMBL3761017 0.83 KCNA5 (0.56) KMT2AGAATHRBTP53LMNA
SCHEMBL3754052 0.83 SIRT1 (0.52) CDK4CCND1MTNR1AALDH1A1
SCHEMBL3745544 0.83 MTNR1A (0.49) KMT2AMEN1CDK4CCND1MTNR1A
SCHEMBL3752731 0.82 ALDH1A1 (0.53) KMT2AMEN1CDK4CCND1TP53
SCHEMBL3754846 0.81 CDK4 (0.52) KMT2AMEN1CDK4CCND1MTNR1A
SCHEMBL3750239 0.81 SCN9A (0.51) KMT2ALMNAALDH1A1
SCHEMBL3754277 0.81 MEN1 (0.51) KMT2AMEN1CDK4CCND1MTNR1A
SCHEMBL3751823 0.81 KMT2A (0.51) KMT2AMEN1MAPTMTNR1ALMNA

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 KMT2A 3483/4885MEN1 538/4885GAA 3997/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KMT2A 3979/4885MEN1 2400/4885GAA 4674/4885

“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.