SCHEMBL3751823

SCHEMBL3751823

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
MTNR1A P48039 2/20 0.51
KCNA5 P22460 3/20 0.50
KCNH2 Q12809 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL3750427 0.90 TDP1 (0.50) KMT2ATSHRPKMCYP2C19KCNA5
SCHEMBL3745757 0.88 KCNA5 (0.69) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL3754277 0.87 MEN1 (0.51) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL3745544 0.85 MTNR1A (0.49) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL3754052 0.82 SIRT1 (0.52) MTNR1AKCNH2ALDH1A1
SCHEMBL3754846 0.82 CDK4 (0.52) KMT2AMEN1MTNR1AKCNH2ALDH1A1
SCHEMBL3758534 0.81 KCNA5 (0.59) KMT2ALMNAKCNA5KCNH2ALDH1A1
SCHEMBL3753450 0.81 KMT2A (0.54) KMT2AMEN1TSHRLMNACYP1A2
SCHEMBL3752731 0.81 ALDH1A1 (0.53) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL3750239 0.80 SCN9A (0.51) KMT2ALMNAKCNA5KCNH2ALDH1A1

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 538/4885TSHR 1287/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KMT2A 3979/4885MEN1 2400/4885TSHR 1483/4885

“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.