SCHEMBL875558

SCHEMBL875558

CC(F)(F)Oc1cccnc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
MAPK14 Q16539 1/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
NOS1 P29475 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
MET P08581 1/20 0.40
MAPT P10636 1/20 0.40
NAPRT Q6XQN6 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM5 P41594 1/20 0.35
BACE1 P56817 1/20 0.34
PLAU P00749 1/20 0.34
MAP4K4 O95819 2/20 0.33
SLC40A1 Q9NP59 1/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2303054 0.85 LTA4H (0.49) LTA4HMAPK14NPC1RAB9ANOS3
Hydrochloric Acid SCHEMBL29857909 0.83 LTA4H (0.47) LTA4HMAPK14NPC1RAB9ANOS3
SCHEMBL9124268 0.78 MET (0.42) LTA4HMAPK14NPC1RAB9ANOS3
SCHEMBL364523 0.78 S1PR4 (0.40) LTA4HMAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL16335206 0.78 CHRNB2 (0.38) NPC1RAB9ASMN1; SMN2METGRM5
SCHEMBL875218 0.77 NPC1 (0.46) LTA4HMAPK14NPC1RAB9ANOS3
SCHEMBL23794033 0.76 LTA4H (0.41) LTA4HMAPK14NPC1RAB9ANOS3
SCHEMBL10683029 0.76 LTA4H (0.41) LTA4HMAPK14NPC1RAB9ANOS3
SCHEMBL2123624 0.74 LTA4H (0.54) LTA4HMAPK14NPC1RAB9ANOS3
SCHEMBL9890 0.74

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
WO-2023203174-A1 HETEROCYCLIC CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF PROXYGEN GMBH (AT) 2023-10-26 WO disclosed
EP-2619202-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES Pfizer Inc (US) 2013-07-31 EP disclosed
US-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases PFIZER INC. (US) 2013-07-18 US disclosed
WO-2012038850-A1 PYRIDMIDONES FOR TREATMENT OF POTASSIUM CHANNEL RELATED DISEASES PFIZER INC. (US) 2012-03-29 WO 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 (1 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-20130184294-A1 Pyrimidones for Treatment of Potassium Channel Related Diseases KCNQ5, KCNQ1, KCNQ3 LTA4H 2022/4885MAPK14 1411/4885NPC1 1610/4885

“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.