SCHEMBL3758312

SCHEMBL3758312

O/N=C/c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GPR183 P32249 15/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTNNB1 P35222 2/20 0.39
▸ WNT3A P56704 2/20 0.39

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
SCHEMBL3758316 1.00 PIK3CA (0.48) PIK3CAPIK3CGNPC1RAB9AGPR183
SCHEMBL31275859 1.00 PIK3CA (0.48) PIK3CAPIK3CGNPC1RAB9AGPR183
SCHEMBL14570174 1.00 PIK3CA (0.48) PIK3CAPIK3CGNPC1RAB9AGPR183
SCHEMBL4013347 0.82 TSHR (0.45) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL4013346 0.82 TSHR (0.45) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL18002576 0.76 PIK3CA (0.51) PIK3CAPIK3CGNPC1RAB9AGPR183
SCHEMBL497425 0.76 PIK3CA (0.55) PIK3CAPIK3CGNPC1RAB9AGPR183
SCHEMBL6142463 0.74 PIK3CA (0.41) PIK3CAPIK3CGNPC1RAB9AGPR183
SCHEMBL7267886 0.73 PIK3CA (0.41) PIK3CAPIK3CGNPC1RAB9AGPR183
SCHEMBL7267880 0.73 PIK3CA (0.41) PIK3CAPIK3CGNPC1RAB9AGPR183

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 PIK3CA 4651/4885PIK3CG 4358/4885NPC1 790/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PIK3CA 4663/4885PIK3CG 4239/4885NPC1 1060/4885

“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.

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