SCHEMBL3758693

SCHEMBL3758693

Cn1nc(CN)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
NR1H4 Q96RI1 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
GRM5 P41594 1/20 0.38
KMT2A Q03164 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTGS2 P35354 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL10275017 0.84 CNR1 (0.45) MPONR1H4CNR1CNR2DDB1
SCHEMBL19585848 0.82 NR1H4 (0.43) MPONR1H4CNR1CNR2DDB1
SCHEMBL1779503 0.82 PTGS2 (0.52) MPONR1H4CNR1CNR2DDB1
SCHEMBL22912537 0.79 POLB (0.43) MPONR1H4CNR1CNR2DDB1
SCHEMBL25731620 0.79 CA1 (0.51) MPONR1H4CNR1CNR2DDB1
SCHEMBL19586432 0.78 MPO (0.41) MPONR1H4CNR1CNR2DDB1
SCHEMBL17259254 0.78 P2RY6 (0.47) CNR1CNR2NPC1RAB9APTGS2
SCHEMBL27046141 0.77 SLC16A3 (0.41) MPONR1H4CNR1CNR2DDB1
SCHEMBL7371813 0.76 CYP1A2 (0.47) MPODDB1CRBNCYP1A2CYP3A4
SCHEMBL15677567 0.73 SLC16A3 (0.50) NR1H4

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 5 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 disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN 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 MPO 1166/4885NR1H4 574/4885CNR1 380/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 MPO 3752/4885NR1H4 685/4885CNR1 504/4885

“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.