SCHEMBL25865375

SCHEMBL25865375

O=c1oc2ncc(Br)cc2n1Cc1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
GRIN1 Q05586 6/20 0.36
GRIN2B Q13224 6/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1B1 Q16678 1/20 0.31
MIF P14174 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL25865447 0.86 HSD17B10 (0.39) HSD17B10NPC1GRIN1GRIN2BALDH1A1
SCHEMBL25865334 0.82 NPC1 (0.58) HSD17B10NPC1KDM4EALDH1A1MIF
SCHEMBL25865370 0.80 HSD17B10 (0.45) HSD17B10NPC1KDM4EALDH1A1PDE4B
SCHEMBL25865316 0.77 HSD17B10 (0.40) HSD17B10NPC1
SCHEMBL16361870 0.71 HSD17B10 (0.57) HSD17B10ALDH1A1PDE4B
SCHEMBL31682602 0.71 HSD17B10 (0.57) HSD17B10ALDH1A1PDE4B
SCHEMBL25865429 0.68 HSD17B10 (0.45) HSD17B10PDE4B
SCHEMBL20874692 0.68 GALR3 (0.40) HSD17B10NPC1GRIN1GRIN2BALDH1A1
SCHEMBL25446762 0.65 CNR2 (0.46) HSD17B10GRIN1GRIN2BALDH1A1
SCHEMBL30187097 0.65 CNR2 (0.46) HSD17B10GRIN1GRIN2BALDH1A1

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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 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 (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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B HSD17B10 715/4885NPC1 218/4885GRIN1 141/4885

“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.