SCHEMBL25865316

SCHEMBL25865316

O=c1oc2ncc(Br)cc2n1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
METAP2 P50579 9/20 0.32
NPC1 O15118 1/20 0.31
IDO1 P14902 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL25865370 0.82 HSD17B10 (0.45) HSD17B10NPC1IDO1
SCHEMBL25865375 0.77 HSD17B10 (0.38) HSD17B10NPC1
SCHEMBL25865334 0.76 NPC1 (0.58) HSD17B10NPC1IDO1
SCHEMBL25865447 0.75 HSD17B10 (0.39) HSD17B10NPC1IDO1
SCHEMBL25865285 0.75 CBX7 (0.49) NPC1IDO1
SCHEMBL16361870 0.73 HSD17B10 (0.57) HSD17B10IDO1
SCHEMBL31682602 0.73 HSD17B10 (0.57) HSD17B10IDO1
SCHEMBL22314476 0.73 CA12 (0.44) METAP2
SCHEMBL25865429 0.70 HSD17B10 (0.45) HSD17B10IDO1
SCHEMBL23995199 0.65 GRIN1 (0.43)

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 715/4885METAP2 1555/4885NPC1 218/4885

“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.