SCHEMBL3753252

SCHEMBL3753252

CNC(=O)C1(C)c2ccccc2C(=O)N1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MDM2 Q00987 14/20 0.50
TP53 P04637 6/20 0.48
RAF1 P04049 3/20 0.47
BRAF P15056 3/20 0.47
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL3756028 0.86 ALDH1A1 (0.59) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL3756756 0.85 MDM2 (0.53) ALDH1A1MDM2TP53KCNH2SCN5A
SCHEMBL2027394 0.77 ALDH1A1 (0.72) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL14397918 0.77 THRB (0.53) ALDH1A1TP53
SCHEMBL14399108 0.74 THRB (0.53) ALDH1A1TP53RAF1BRAF
SCHEMBL14399102 0.73 THRB (0.55) ALDH1A1TP53
SCHEMBL2022118 0.73 ALDH1A1 (0.66) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL14397943 0.73 THRB (0.52) ALDH1A1TP53
SCHEMBL2029430 0.73 ALDH1A1 (0.61) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL3745820 0.73 MDM2 (0.51) ALDH1A1MDM2TP53KCNH2SCN5A

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 4 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
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 ALDH1A1 315/4885MDM2 3686/4885TP53 3912/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885MDM2 3351/4885TP53 3602/4885

“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.