SCHEMBL3757950

SCHEMBL3757950

O=C(NCn1nnc2ccccc21)C1c2ccccc2C(=O)N1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
SCN9A Q15858 11/20 0.48
KCNH2 Q12809 9/20 0.48
SCN5A Q14524 8/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNQ2 O43526 1/20 0.43
KCNA5 P22460 1/20 0.43
SCN2A Q99250 1/20 0.43
LMNA P02545 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
SCHEMBL3758138 0.93 SCN9A (0.56) RAB9ASCN9AKCNH2SCN5AKMT2A
SCHEMBL3750284 0.84 SCN9A (0.42) NPC1RAB9ASCN9AKCNH2SCN5A
SCHEMBL3745632 0.83 KCNA5 (0.61) KCNH2ALDH1A1KCNA5
SCHEMBL3745637 0.82 KCNA5 (0.55) NPC1RAB9AKCNH2ALDH1A1TDP1
SCHEMBL3757677 0.81 ALDH1A1 (0.45) MAPTALDH1A1KMT2AKCNA5
SCHEMBL3748957 0.81 KCNA5 (0.47) KCNH2ALDH1A1SMN1; SMN2KCNA5LMNA
SCHEMBL3757185 0.81 KCNA5 (0.47) MAPTKCNH2ALDH1A1SMN1; SMN2KCNA5
SCHEMBL3942840 0.79 ALDH1A1 (0.69) SCN9AKCNH2SCN5AALDH1A1TDP1
SCHEMBL3751057 0.79 SCN9A (0.66) SCN9AKCNH2SCN5AALDH1A1TDP1
SCHEMBL3750010 0.78 TSHR (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 NPC1 790/4885RAB9A 483/4885MAPT 4504/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 NPC1 1060/4885RAB9A 899/4885MAPT 4244/4885

“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.