SCHEMBL6284250

SCHEMBL6284250

C[C@H](O)Cn1c(SCCN2CCOCC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.53
PDE10A Q9Y233 1/20 0.51
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7721161 0.82 PDE10A (0.54) ALDH1A1LMNAPDE10AHSD17B10CASP1
SCHEMBL8363128 0.81 PDE10A (0.58) ALDH1A1LMNAPDE10AHSD17B10CASP1
SCHEMBL6282679 0.80 MAPT (0.52) ALDH1A1LMNAHSD17B10CASP1CASP7
SCHEMBL9513257 0.80 ALDH1A1 (0.54) ALDH1A1LMNAPDE10AMAPT
SCHEMBL6280071 0.77 NPC1 (0.59) ALDH1A1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL6277488 0.77 AR (0.56) MAPTTP53
SCHEMBL6282492 0.77 MEN1 (0.50) ALDH1A1LMNAL3MBTL1MAPTTP53
SCHEMBL6276823 0.74 MAPT (0.55) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6313465 0.74 MAPT (0.55) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL8360122 0.74 MAPT (0.55) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2

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-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS ALDH1A1 1294/4885LMNA 2632/4885PDE10A 3984/4885

“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.