SCHEMBL3753631

SCHEMBL3753631

COc1ccc(CCNC(=O)C2c3ccccc3C(=O)N2C(C)c2ccccc2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
TP53 P04637 3/20 0.65
KCNA5 P22460 1/20 0.64
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 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
SCHEMBL3941925 0.81 KMT2A (0.80) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3751827 0.79 KCNA5 (0.70) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3755943 0.79 KCNA5 (1.00) KCNA5SMN1; SMN2
SCHEMBL3760632 0.77 KCNA5 (0.60) KMT2ATP53KCNA5ALDH1A1LMNA
SCHEMBL3751958 0.77 KCNA5 (0.82) KCNA5ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3745343 0.77 KCNA5 (0.78) KMT2AKCNA5ALDH1A1LMNASMN1; SMN2
SCHEMBL3757910 0.77 KCNA5 (0.69) KMT2AKCNA5ALDH1A1LMNASMN1; SMN2
SCHEMBL3753076 0.76 KCNA5 (0.67) KMT2AKCNA5ALDH1A1
SCHEMBL16797450 0.75 TP53 (0.76) KMT2ATP53ALDH1A1LMNASMN1; SMN2
SCHEMBL3747907 0.74 KCNA5 (0.81) KCNA5

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 KMT2A 3483/4885TP53 3912/4885KCNA5 69/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KMT2A 3979/4885TP53 3602/4885KCNA5 72/4885

“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.