SCHEMBL3754277

SCHEMBL3754277

CC(C)(C)CN1C(=O)c2ccccc2C1C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
MTNR1A P48039 2/20 0.51
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
KCNA5 P22460 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
HTR1A P08908 1/20 0.48
MC4R P32245 1/20 0.47
MMP9 P14780 1/20 0.47
AANAT Q16613 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3745544 0.91 MTNR1A (0.49) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL3751840 0.90 P2RX7 (0.48) PKMTSHRKCNA5
SCHEMBL3751823 0.87 KMT2A (0.51) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL3754846 0.82 CDK4 (0.52) MEN1KMT2AMTNR1ACDK4CCND1
SCHEMBL3754052 0.82 SIRT1 (0.52) MTNR1ACDK4CCND1NPC1RAB9A
SCHEMBL3758309 0.81 KCNA5 (0.56) KMT2ALMNAKCNA5
SCHEMBL3751661 0.81 SCN9A (0.51) PKMTSHRKCNA5
SCHEMBL3753450 0.81 KMT2A (0.54) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL3752731 0.81 ALDH1A1 (0.53) MEN1KMT2ALMNACDK4CCND1
SCHEMBL3745757 0.81 KCNA5 (0.69) MEN1KMT2ALMNACYP1A2PKM

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 MEN1 538/4885KMT2A 3483/4885LMNA 228/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 MEN1 2400/4885KMT2A 3979/4885LMNA 461/4885

“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.