SCHEMBL20209044

SCHEMBL20209044

N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(OCC(F)(F)F)nc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
SCN5A Q14524 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RET P07949 2/20 0.35
GRM5 P41594 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SCN9A Q15858 3/20 0.33
TRPV3 Q8NET8 2/20 0.32
DGAT1 O75907 2/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 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
SCHEMBL26462639 0.93 CYP1A2 (0.40) CYP1A2SCN5ANPSR1ALDH1A1RECQL
SCHEMBL20209034 0.83 SCN5A (0.37) CYP1A2SCN5ARETCYP11B1CYP11B2
SCHEMBL26461103 0.82 RET (0.36) RETDGAT1
SCHEMBL12909263 0.76 AR (0.40) SCN5AALDH1A1GRM5
SCHEMBL937086 0.75 SCN5A (0.54) CYP1A2SCN5A
SCHEMBL937557 0.75 SCN5A (0.59) CYP1A2SCN5ANPSR1ALDH1A1RECQL
SCHEMBL936298 0.74 SCN5A (0.70) CYP1A2SCN5ANPSR1ALDH1A1RECQL
SCHEMBL26459840 0.72 SCN5A (0.42) SCN5A
SCHEMBL26464795 0.71 DGAT1 (0.33) RETDGAT1
SCHEMBL20209047 0.70 CYP1A2 (0.47) CYP1A2SCN5A

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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL PRAXIS PRECISION MEDICINES, INC. 2023-05-04 US disclosed
WO-2018098491-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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL SCN1A, SCN3A, SCN2A CYP1A2 3251/4885SCN5A 7/4885NPSR1 2383/4885

“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.