SCHEMBL25865291

SCHEMBL25865291

O=C1Cc2ccc(Br)cc2N1CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NR1I2 O75469 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
BACE1 P56817 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
METAP1 P53582 1/20 0.34
TDP2 O95551 1/20 0.33

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
SCHEMBL25036443 0.87 HDAC6 (0.51) HDAC1HDAC6MAPTALOX12HSD17B10
SCHEMBL22122223 0.80 KMT2A (0.35) HDAC1HDAC6CMA1AHRBACE1
SCHEMBL14822132 0.80 GSK3B (0.47) CMA1AHRMAPTMEN1ALOX15
SCHEMBL7234150 0.78 HTR7 (0.49) DRD2DRD5DRD3
SCHEMBL22314462 0.74 HRH3 (0.41) MAPTRXRABMPR1BACVRL1ACVR1
SCHEMBL14822127 0.74 BACE1 (0.44) CMA1AHRBACE1MAPTMEN1
SCHEMBL16064594 0.74 SIGMAR1 (0.43) ADORA3OPRM1OPRK1MAPTMEN1
SCHEMBL27209386 0.73 HDAC1 (0.33) HDAC1HDAC6MAPTMEN1ALOX15
SCHEMBL26024964 0.73 NR1I2 (0.51) HDAC1HDAC6NR1I2ADORA3OPRM1
SCHEMBL26621469 0.73 ATAD2 (0.49) NR1I2ADORA3OPRM1OPRK1MAPT

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 HDAC1 418/4885HDAC6 289/4885NR1I2 2604/4885

“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.