SCHEMBL20203884

SCHEMBL20203884

COc1nc(OCC(F)(F)F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ULK1 O75385 1/20 0.38
MBOAT4 Q96T53 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SCN9A Q15858 1/20 0.34
CNR2 P34972 2/20 0.33
CYP1A2 P05177 2/20 0.33
METAP2 P50579 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 2/20 0.33
ADORA2A P29274 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NUDT1 P36639 1/20 0.32
HPGDS O60760 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL28393598 0.81 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2PTGS1PTGS2SCN9A
SCHEMBL20203893 0.80 L3MBTL1 (0.41) L3MBTL1MBOAT4SMN1; SMN2PTGS1PTGS2
SCHEMBL15901388 0.80 HPGD (0.37) MBOAT4SMN1; SMN2TDP1POLBADORA2A
SCHEMBL28393739 0.78 L3MBTL1 (0.39) L3MBTL1ULK1SMN1; SMN2PTGS1PTGS2
SCHEMBL2715306 0.78 CD274 (0.43) L3MBTL1MBOAT4SMN1; SMN2PTGS1PTGS2
SCHEMBL2715167 0.78 L3MBTL1 (0.40) L3MBTL1MBOAT4SMN1; SMN2PTGS1PTGS2
SCHEMBL23414825 0.78 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2CYP1A2POLBHPGDS
Hydrochloric Acid SCHEMBL2716920 0.77 CD274 (0.42) L3MBTL1MBOAT4SMN1; SMN2PTGS1PTGS2
Hydrochloric Acid SCHEMBL28390283 0.77 L3MBTL1 (0.38) L3MBTL1ULK1SMN1; SMN2PTGS1PTGS2
SCHEMBL21411445 0.77 L3MBTL1 (0.37) L3MBTL1ULK1MBOAT4SMN1; SMN2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
WO-2018098499-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B L3MBTL1 1392/4885ULK1 4267/4885MBOAT4 2260/4885

“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.