SCHEMBL3750407

SCHEMBL3750407

COc1cccc(CN2C(=O)c3ccccc3C2C(=O)NC2CCCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.73
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.62
THRB P10828 1/20 0.60
GAA P10253 1/20 0.60
TP53 P04637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
MCHR1 Q99705 1/20 0.59

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
SCHEMBL3756564 0.85 TP53 (0.77) F2MAPTTSHRALDH1A1THRB
SCHEMBL3750436 0.83 ALDH1A1 (0.63) F2TSHRALDH1A1TP53NPSR1
SCHEMBL3753648 0.80 TP53 (0.76) F2MAPTTSHRALDH1A1THRB
SCHEMBL3749256 0.78 GAA (0.83) F2MAPTMEN1KMT2ATSHR
SCHEMBL14397542 0.77 F2 (0.58) F2MAPTMEN1KMT2ATSHR
SCHEMBL14622779 0.76 F2 (0.47) F2MAPTALDH1A1GAANPSR1
SCHEMBL14624527 0.76 F2 (0.47) F2MAPTALDH1A1GAANPSR1
SCHEMBL3747913 0.76 GAA (0.85) F2MAPTTSHRALDH1A1THRB
SCHEMBL3753420 0.76 ALDH1A1 (0.61) TSHRALDH1A1TP53NPSR1
SCHEMBL3748963 0.75 GAA (0.76) F2MAPTTSHRALDH1A1THRB

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 F2 200/4885MAPT 4504/4885MEN1 538/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 F2 382/4885MAPT 4244/4885MEN1 2400/4885

“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.