SCHEMBL3756353

SCHEMBL3756353

Cc1ccc(F)c(CNC(=O)C(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SLC1A2 P43004 1/20 0.40
P2RX7 Q99572 1/20 0.40
SETDB1 Q15047 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13104293 0.82 SETDB1 (0.56) NPC1RAB9AP2RX7SETDB1HPGD
SCHEMBL3756352 0.81 SLC1A2 (0.37) RAB9ASLC1A2CARM1PRMT6HPGD
SCHEMBL10202757 0.79 HPGD (0.45) NPC1RAB9AP2RX7SETDB1HPGD
SCHEMBL583146 0.78 MEN1 (0.64) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL29339265 0.78 CARM1 (0.45) NPC1RAB9AP2RX7SETDB1CARM1
SCHEMBL24324495 0.77 P2RX7 (0.44) RAB9AP2RX7HPGD
SCHEMBL18251692 0.76 P2RX7 (0.52) SLC1A2P2RX7GAA
SCHEMBL3755675 0.75 KMT2A (0.61) NPC1RAB9AHPGDGAAMEN1
SCHEMBL24323193 0.75 HPGD (0.39) NPC1RAB9AP2RX7SETDB1HPGD
SCHEMBL13104124 0.75 KDM4A (0.44) NPC1RAB9AGAA

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 8 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 claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
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 NPC1 790/4885RAB9A 483/4885SLC1A2 1226/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 NPC1 1060/4885RAB9A 899/4885SLC1A2 738/4885

“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.