SCHEMBL22314906

SCHEMBL22314906

Cn1c(=O)oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NOTUM Q6P988 1/20 0.44
SCN5A Q14524 5/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
CYP11B2 P19099 1/20 0.40
MAP4K1 Q92918 1/20 0.40
SCN9A Q15858 1/20 0.39
PTGER4 P35408 1/20 0.39
TDP2 O95551 1/20 0.39
TNIK Q9UKE5 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL22314549 0.84 CA12 (0.44) CA12CA9NOTUMSCN5AGRIN1
SCHEMBL22314897 0.84 CA12 (0.44) CA12CA9NOTUMSCN5AMAP4K1
SCHEMBL25865023 0.82 CA12 (0.42) CA12CA9NOTUMSCN5AGRIN1
SCHEMBL22314476 0.82 CA12 (0.44) CA12CA9NOTUMSCN5AGRIN1
SCHEMBL22314900 0.81 MEN1 (0.45) CA12CA9NOTUMSCN5ACYP11B2
SCHEMBL22314481 0.79 SCN5A (0.43) CA12CA9SCN5AGRIN1GRIN2B
SCHEMBL22314913 0.78 SCN5A (0.48) CA12CA9SCN5AGRIN1GRIN2B
SCHEMBL22314553 0.78 TNIK (0.51) CA12CA9GRIN1GRIN2BTNIK
SCHEMBL14480871 0.76 NOTUM (0.42) CA12CA9NOTUMSCN5ACYP11B2
SCHEMBL22314943 0.74 NOTUM (0.49) CA12CA9NOTUMSCN5ASCN9A

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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-08-06 US 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 (2 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-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CA12 1391/4885CA9 1572/4885NOTUM 1669/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CA12 1391/4885CA9 1572/4885NOTUM 1669/4885

“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.