SCHEMBL22314945

SCHEMBL22314945

O=c1[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ncc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
MAT2A P31153 1/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PPARD Q03181 1/20 0.40
SCN10A Q9Y5Y9 3/20 0.39
KCNH2 Q12809 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN1A P35498 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 1/20 0.38
SMO Q99835 1/20 0.38
PRKDC P78527 1/20 0.37
ABL1 P00519 3/20 0.37

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
SCHEMBL20472263 0.80 PDE3B (0.58) NOTUMGRIA1CACNG8PDE3BPDE3A
Hydrochloric Acid SCHEMBL30184769 0.79 PDE3B (0.57) NOTUMGRIA1CACNG8PDE3BPDE3A
SCHEMBL22314943 0.77 NOTUM (0.49) NOTUMGRIA1CACNG8PDE3BPDE3A
SCHEMBL2949027 0.77 NOS1 (0.51) NOTUMGRIA1CACNG8PDE3BPDE3A
SCHEMBL20471905 0.74 NOTUM (0.49) NOTUMGRIA1CACNG8SCN10ASCN5A
SCHEMBL5319083 0.72 GRIA1 (0.43) NOTUMGRIA1CACNG8PDE3BPDE3A
SCHEMBL22314902 0.71 METAP2 (0.41) NOTUMSCN5ACA12CA9CYP1A2
SCHEMBL14480540 0.70 MAOA (0.49) NOTUMGRIA1CACNG8PDE3BPDE3A
SCHEMBL25865038 0.69 TNIK (0.39) NOTUMSCN10ASCN5APRKDCABL1
SCHEMBL14552610 0.68 FABP6 (0.46) NOTUMMAT2ASCN10AKCNH2SCN5A

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-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 NOTUM 1669/4885GRIA1 472/4885CACNG8 59/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B NOTUM 1669/4885GRIA1 472/4885CACNG8 59/4885

“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.