SCHEMBL3754732

SCHEMBL3754732

O=C(NCCc1c[nH]c2ccccc12)C1c2ccccc2C(=O)N1CCc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.47
MTNR1A P48039 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 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
SCHEMBL3754846 0.85 CDK4 (0.52) NPC1RAB9AKMT2AMEN1MTNR1A
SCHEMBL3754052 0.85 SIRT1 (0.52) NPC1RAB9APOLBMTNR1AALDH1A1
SCHEMBL3755256 0.85 POLB (0.61) NPC1RAB9AKMT2APOLBMAPT
SCHEMBL3750239 0.83 SCN9A (0.51) KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3745786 0.82 GAA (0.56) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL3752731 0.82 ALDH1A1 (0.53) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3759964 0.81 OPRM1 (0.47) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL3753663 0.80 GAA (0.56) KMT2AMEN1NPSR1POLBCYP1A2
SCHEMBL3745544 0.80 MTNR1A (0.49) KMT2AMEN1CYP1A2LMNAMTNR1A
SCHEMBL3756437 0.78 KMT2A (0.58) KMT2AMEN1POLBCYP1A2CYP3A4

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 6 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
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 NPC1 790/4885RAB9A 483/4885KMT2A 3483/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 NPC1 1060/4885RAB9A 899/4885KMT2A 3979/4885

“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.