SCHEMBL20190776

SCHEMBL20190776

Cc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(I)c2n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.58
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP1A2 P05177 3/20 0.44
PIM1 P11309 8/20 0.37
PIM2 Q9P1W9 7/20 0.37
FLT3 P36888 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
PDE10A Q9Y233 2/20 0.35
PDE2A O00408 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE11A Q9HCR9 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
SCHEMBL20191052 0.87 SCN5A (0.50) SCN5AMAOAMAOBPIM1PIM2
SCHEMBL20189286 0.86 SCN5A (0.67) SCN5AMAOAMAOBCYP1A2PIM1
SCHEMBL20190458 0.84 CYP1A2 (0.48) SCN5AMAOAMAOBCYP1A2PIM1
SCHEMBL20190535 0.81 SCN5A (0.73) SCN5AMAOAMAOBCYP1A2PIM1
SCHEMBL20190211 0.78 CYP1A2 (0.47) SCN5AMAOAMAOBCYP1A2KCNH2
SCHEMBL20189738 0.78 SCN5A (0.65) SCN5AMAOAMAOBCYP1A2MCHR1
SCHEMBL20190880 0.77 SCN5A (0.58) SCN5APIM1PIM2FLT3
SCHEMBL23572415 0.73 SCN5A (1.00) SCN5AMAOAMAOBCYP1A2
SCHEMBL20190080 0.73 SCN5A (0.65) SCN5AMAOAMAOBPIM1PIM2
SCHEMBL20190843 0.71 SCN5A (0.61) SCN5AMAOAMAOBCYP1A2PIM1

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 8/4885MAOA 1799/4885MAOB 1870/4885

“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.