SCHEMBL3758619

SCHEMBL3758619

CC(C)(CO)NC(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
HTT P42858 1/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ATM Q13315 1/20 0.55
ANO1 Q5XXA6 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.47
MAP4K4 O95819 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2759010 0.89 NPC1 (0.61) NPC1RAB9AHDAC6ATMKMT2A
SCHEMBL12066298 0.84 NPC1 (0.57) NPC1RAB9AHTTATMANO1
SCHEMBL8976765 0.83 NPC1 (0.72) NPC1RAB9AHTTHDAC1HDAC6
SCHEMBL5863738 0.81 L3MBTL1 (0.56) NPC1RAB9AHTTATMMEN1
SCHEMBL3757683 0.80 NPC1 (0.52) NPC1RAB9AHDAC1ATMMEN1
SCHEMBL621869 0.80 POLB (0.71) NPC1RAB9AHDAC1HDAC6ATM
SCHEMBL28443247 0.79 NPC1 (0.58) NPC1RAB9AHTTHDAC1HDAC6
SCHEMBL4397431 0.79 HTT (0.47) NPC1RAB9AHTTHDAC1HDAC6
SCHEMBL6301076 0.79 NPC1 (0.57) NPC1RAB9AATMMEN1KMT2A
SCHEMBL2886082 0.79 KMT2A (0.49) NPC1RAB9AHTTATMMEN1

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 NPC1 790/4885RAB9A 483/4885HTT 3361/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 NPC1 1060/4885RAB9A 899/4885HTT 3086/4885

“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.