SCHEMBL25865447

SCHEMBL25865447

O=c1oc2ncc(Br)cc2n1CCc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
IDO1 P14902 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
USP2 O75604 1/20 0.30
ESR1 P03372 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
SCHEMBL25865375 0.86 HSD17B10 (0.38) HSD17B10ALDH1A1NPC1GRIN1GRIN2B
SCHEMBL25865370 0.77 HSD17B10 (0.45) HSD17B10ALDH1A1SMN1; SMN2NPSR1IDO1
SCHEMBL25865316 0.75 HSD17B10 (0.40) HSD17B10IDO1NPC1
SCHEMBL25865334 0.75 NPC1 (0.58) HSD17B10TSHRALDH1A1NPSR1IDO1
SCHEMBL22314481 0.74 SCN5A (0.43) GRIN1GRIN2B
SCHEMBL16361870 0.72 HSD17B10 (0.57) HSD17B10TSHRALDH1A1LMNAIDO1
SCHEMBL31682602 0.72 HSD17B10 (0.57) HSD17B10TSHRALDH1A1LMNAIDO1
SCHEMBL9596704 0.69 ALDH1A1 (0.41) TSHRALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL8918636 0.68 HSD17B10 (0.43) HSD17B10TSHRALDH1A1LMNAMAPK1
SCHEMBL9597080 0.67 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2RAB9ANPSR1

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 715/4885TSHR 3804/4885ALDH1A1 916/4885

“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.