SCHEMBL3757683

SCHEMBL3757683

CC(C)(CO)NC(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
CNR2 P34972 4/20 0.52
CNR1 P21554 3/20 0.52
POLB P06746 2/20 0.49
DGAT2 Q96PD7 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
MAP4K4 O95819 1/20 0.44
PLOD2 O00469 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL25780577 0.86 KDM4E (0.61) RAB9APOLBALDH1A1HPGDKDM4E
SCHEMBL9119278 0.84 CNR1 (0.55) NPC1RAB9AATMCNR2CNR1
SCHEMBL10123127 0.84 RAB9A (0.54) NPC1RAB9AATMCNR2CNR1
SCHEMBL706443 0.84 HDAC1 (0.58) NPC1RAB9AATMPOLBHPGD
SCHEMBL6023280 0.84 NPC1 (0.54) NPC1RAB9AATMCNR2CNR1
SCHEMBL21761158 0.83 ALDH1A1 (0.50) RAB9APOLBALDH1A1HPGDKDM4E
SCHEMBL3750397 0.82 POLB (0.54) NPC1RAB9AATMCNR2CNR1
SCHEMBL28360034 0.82 NPC1 (0.52) NPC1RAB9AATMCNR2CNR1
SCHEMBL11074386 0.82 NPC1 (0.52) NPC1RAB9AATMPOLBALDH1A1
SCHEMBL4240834 0.82 OGG1 (0.53) NPC1RAB9AATMPOLBALDH1A1

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 483/4885ATM 4357/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 NPC1 1060/4885RAB9A 899/4885ATM 2001/4885

“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.