SCHEMBL4852952

SCHEMBL4852952

Brc1c(CCOCc2ccccc2)sc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
TSHR P16473 1/20 0.40
PTPN1 P18031 9/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
F9 P00740 1/20 0.33
F10 P00742 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
SCHEMBL14106992 0.86 TSHR (0.48) PTGS2TSHRPTPN1LOXL2L3MBTL1
SCHEMBL4851404 0.73 PTGS2 (0.42) PTGS2PTPN1LOXL2TDP1
SCHEMBL14035702 0.72 LOXL2 (0.39) PTGS2PTPN1LOXL2TDP1
SCHEMBL716717 0.70 GPR3 (0.46) PTGS2PTPN1LOXL2
SCHEMBL1066576 0.69 TSHR (0.67) TSHRLOXL2TDP1L3MBTL1NAAA
SCHEMBL4850613 0.69 HRH1 (0.55)
SCHEMBL23525356 0.69 TSHR (0.38) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL13352406 0.69 CNR2 (0.45) PTGS2PTPN1LOXL2TDP1L3MBTL1
SCHEMBL11925834 0.68 TSHR (0.44) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL28521552 0.68 CNR2 (0.50) PTGS2PTPN1LOXL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393865-B2 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-07-01 US disclosed
WO-2006019497-A2 SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2006-02-23 WO disclosed
US-20060014797-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-01-19 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-20060014797-A1 Sleep inducing compounds and methods relating thereto CHRM1, CNR1, HRH3 PTGS2 668/4885TSHR 265/4885PTPN1 3881/4885

“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.