SCHEMBL3756934

SCHEMBL3756934

NCc1ccccc1-c1ccc(F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.57
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ALOX5AP P20292 9/20 0.43
FEN1 P39748 9/20 0.43
F10 P00742 1/20 0.41
ADRA2C P18825 1/20 0.41
CD274 Q9NZQ7 2/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KCNA5 P22460 1/20 0.39
HSD17B3 P37058 1/20 0.38

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
SCHEMBL23347204 0.81 ALOX5AP (0.56) ALOX5APFEN1MAOBKCNA5
SCHEMBL2948017 0.80 ALOX5AP (0.54) DPP4NOS3NOS1NOS2ALOX5AP
SCHEMBL28936838 0.79 ALOX5AP (0.44) ALOX5APFEN1ADRA2CMAOBKCNA5
SCHEMBL3723618 0.79 DPP4 (0.69) DPP4NOS3NOS1NOS2MAOB
SCHEMBL2393685 0.78 KCNA5 (0.43) ALOX5APFEN1MAOBKCNA5
SCHEMBL5992838 0.78 PTPRC (0.47) DPP4ALOX5APFEN1CD274TAAR1
SCHEMBL16814898 0.78 DPP4 (0.62) DPP4NOS3NOS1NOS2ADRA2C
SCHEMBL3949417 0.77 KCNA5 (0.45) ALOX5APFEN1MAOBKCNA5
SCHEMBL6048497 0.77 SLC6A4 (0.54) F10
SCHEMBL22910540 0.77 LTA4H (0.45) ALOX5APFEN1TAAR1KCNA5

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 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 DPP4 4206/4885NOS3 2834/4885NOS1 2196/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 DPP4 4521/4885NOS3 1043/4885NOS1 1129/4885

“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.