SCHEMBL3750115

SCHEMBL3750115

O=CNCc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
ROCK2 O75116 1/20 0.41
FAAH O00519 4/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
KIF11 P52732 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE2A O00408 1/20 0.37
NOS2 P35228 1/20 0.37
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL15435392 0.80 CTNNB1 (0.43) ROCK2FAAHCTNNB1WNT3APIK3CA
SCHEMBL9838828 0.79 NOS2 (0.42) ROCK2FAAHCTNNB1WNT3AKIF11
SCHEMBL3669352 0.78 PDE2A (0.41) ROCK2FAAHCTNNB1WNT3AKIF11
SCHEMBL8184134 0.78 CTNNB1 (0.42) ROCK2FAAHCTNNB1WNT3AKIF11
SCHEMBL26026103 0.76 NOS2 (0.41) ROCK2FAAHCTNNB1WNT3APIK3CA
SCHEMBL18656445 0.74 KDM4E (0.41) ROCK2FAAHCTNNB1WNT3AKIF11
SCHEMBL7666936 0.73 DPP7 (0.57) NPC1RAB9A
SCHEMBL17469092 0.73 ALDH1A1 (0.51) ADH1BADH1CADH1AADH7RAB9A
SCHEMBL2537768 0.73 CYP19A1 (0.43) ROCK2FAAHCTNNB1WNT3APIK3CA
SCHEMBL15151309 0.72 CTNNB1 (0.41) ROCK2FAAHCTNNB1WNT3APIK3CA

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 ADH1B 1583/4885ADH1C 831/4885ADH1A 677/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ADH1B 375/4885ADH1C 307/4885ADH1A 297/4885

“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.