SCHEMBL25865334

SCHEMBL25865334

O=c1oc2ncc(Br)cc2n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
MIF P14174 4/20 0.51
CD74 P04233 2/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KDM4A O75164 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN9A Q15858 1/20 0.42
IDO1 P14902 3/20 0.42
ESR1 P03372 1/20 0.41
POLB P06746 3/20 0.41
CFTR P13569 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL25865375 0.82 HSD17B10 (0.38) NPC1MIFALDH1A1KDM4EHSD17B10
SCHEMBL7316292 0.82 NPC1 (0.63) NPC1MIFCD74ALDH1A1KDM4E
SCHEMBL25865370 0.79 HSD17B10 (0.45) NPC1ALDH1A1KDM4EHPGDHTT
SCHEMBL17807837 0.76 NPC1 (0.79) NPC1MIFCD74ALDH1A1IDO1
SCHEMBL25865316 0.76 HSD17B10 (0.40) NPC1HSD17B10IDO1
SCHEMBL19020217 0.76 HSD17B10 (0.61) ALDH1A1KDM4EKDM4AHPGDTSHR
SCHEMBL25865447 0.75 HSD17B10 (0.39) NPC1ALDH1A1HPGDTSHRNPSR1
SCHEMBL22314553 0.74 TNIK (0.51) MIFCD74
SCHEMBL17807874 0.74 GRIN1 (0.52)
SCHEMBL15712228 0.73 NPC1 (1.00) NPC1MIFCD74ALDH1A1HPGD

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 1 patent. 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

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 NPC1 218/4885MIF 4883/4885CD74 4427/4885

“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.