SCHEMBL20203935

SCHEMBL20203935

O=C(NNc1ncc(Br)cn1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.35
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
HDAC3 O15379 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC2 Q92769 4/20 0.32
HDAC6 Q9UBN7 4/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL2269321 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1ATMNPC1RAB9A
SCHEMBL15710366 0.70 GAA (0.53) ALDH1A1L3MBTL1CA2MAPTNPC1
SCHEMBL20209550 0.70 ALDH1A1 (0.38) ALDH1A1L3MBTL1ATMCA2NPC1
SCHEMBL29893255 0.68 GAA (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL2401876 0.68 GAA (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL14840326 0.67 L3MBTL1 (0.45) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL6543272 0.67 ALDH1A1 (0.55) ALDH1A1L3MBTL1ATMNPC1RAB9A
SCHEMBL1366867 0.67 XPO1 (0.43) MAPTNPC1RAB9AHTTKMT2A
SCHEMBL3594230 0.66 HDAC6 (0.49) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL4404076 0.66 TLR7 (0.60) ALDH1A1L3MBTL1MAPTNPC1RAB9A

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 2 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
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 ALDH1A1 916/4885L3MBTL1 1392/4885ATM 4668/4885

“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.