SCHEMBL6286371

SCHEMBL6286371

C[C@H](O)Cn1cnc2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KCNH2 Q12809 1/20 0.44
APAF1 O14727 1/20 0.43
PRPS1 P60891 1/20 0.43
MAPK1 P28482 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
MAP3K14 Q99558 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BRD4 O60885 1/20 0.40
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
GGPS1 O95749 2/20 0.40
FDPS P14324 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 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
SCHEMBL6177173 1.00 POLB (0.45) POLBKCNH2APAF1PRPS1MAPK1
SCHEMBL6176584 0.83 POLB (0.50) POLBAPAF1MAPK1HTTSMN1; SMN2
SCHEMBL6280460 0.83 POLB (0.50) POLBAPAF1MAPK1HTTSMN1; SMN2
SCHEMBL25430036 0.79 POLB (0.43) POLBAPAF1MAPK1HTTSMN1; SMN2
SCHEMBL25430034 0.79 POLB (0.43) POLBAPAF1MAPK1HTTSMN1; SMN2
SCHEMBL11331909 0.79 NPC1 (0.52) KCNH2PRPS1MAPK1HTTSMN1; SMN2
SCHEMBL6175278 0.78 APAF1 (0.68) POLBAPAF1MAPK1HTTSMN1; SMN2
SCHEMBL6176569 0.78 APAF1 (0.68) POLBAPAF1MAPK1HTTSMN1; SMN2
SCHEMBL8656899 0.77 PRPS1 (0.44) POLBKCNH2PRPS1MAPK1HTT
SCHEMBL259900 0.76 PRPS1 (0.51) KCNH2PRPS1MAPK1HTTSMN1; 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 POLB 4412/4885KCNH2 3097/4885APAF1 30/4885

“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.