SCHEMBL20191012

SCHEMBL20191012

FC(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 8/20 0.70
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRIN2B Q13224 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 1/20 0.37
CYP1A2 P05177 1/20 0.36
PIM1 P11309 2/20 0.36
PDE2A O00408 2/20 0.35
MAPK1 P28482 2/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL20190163 0.83 SCN5A (0.50) SCN5AMAPTKDM4ENPC1ALDH1A1
SCHEMBL20208586 0.82 SCN5A (1.00) SCN5AMAPTKDM4EGAANPC1
SCHEMBL20190535 0.82 SCN5A (0.73) SCN5AMAPTKDM4EGAANPC1
SCHEMBL23572415 0.82 SCN5A (1.00) SCN5AMAPTKDM4EGAANPC1
SCHEMBL20190932 0.79 SCN5A (0.68) SCN5AMAPTKDM4EGAANPC1
SCHEMBL20190623 0.72 SCN5A (1.00) SCN5AMAPTKDM4EGAANPC1
SCHEMBL20098869 0.68 SCN5A (0.42) SCN5AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22738441 0.67 SCN5A (0.55) SCN5AMAPTKDM4EGAANPC1
SCHEMBL22712300 0.67 SCN5A (0.52) SCN5AMAPTKDM4EGAANPC1
SCHEMBL312488 0.66 ALDH1A1 (0.59) MAPTKDM4EGAANPC1ALDH1A1

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
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed
WO-2018098500-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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B SCN5A 8/4885MAPT 670/4885KDM4E 2066/4885

“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.