SCHEMBL6282432

SCHEMBL6282432

C[C@H](O)Cn1c(SCC(=O)N(C)C)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
NPSR1 Q6W5P4 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
POLB P06746 3/20 0.58
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 2/20 0.53
CYP2D6 P10635 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
MAPK1 P28482 2/20 0.52

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
SCHEMBL6280071 0.81 NPC1 (0.59) L3MBTL1NPC1NPSR1SMN1; SMN2POLB
SCHEMBL6282492 0.81 MEN1 (0.50) L3MBTL1NPSR1SMN1; SMN2POLBALDH1A1
SCHEMBL8360122 0.78 MAPT (0.55) L3MBTL1NPSR1SMN1; SMN2POLBALDH1A1
SCHEMBL6313465 0.78 MAPT (0.55) L3MBTL1NPSR1SMN1; SMN2POLBALDH1A1
SCHEMBL6276823 0.78 MAPT (0.55) L3MBTL1NPSR1SMN1; SMN2POLBALDH1A1
SCHEMBL6281551 0.78 PTGDR2 (0.64) RAB9ANPC1NPSR1SMN1; SMN2MAPT
SCHEMBL6285172 0.77 ALDH1A1 (0.67) NPSR1SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6277488 0.76 AR (0.56) POLBMAPTKMT2AMEN1
SCHEMBL6279563 0.73 ALDH1A1 (0.51) NPC1NPSR1SMN1; SMN2POLBALDH1A1
SCHEMBL16604005 0.71 NPC1 (0.60) L3MBTL1NPC1NPSR1SMN1; SMN2ALDH1A1

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 L3MBTL1 2397/4885RAB9A 1477/4885NPC1 1805/4885

“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.