SCHEMBL6176590

SCHEMBL6176590

C[C@H](O)Cn1cnc2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
APAF1 O14727 1/20 0.43
MCL1 Q07820 1/20 0.41
MAPT P10636 3/20 0.40
GGPS1 O95749 2/20 0.40
FDPS P14324 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SIK1 P57059 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
SIK3 Q9Y2K2 1/20 0.39
AGER Q15109 4/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL6285122 1.00 POLB (0.45) POLBNPC1RAB9AAPAF1MCL1
SCHEMBL6283673 0.82 POLB (0.45) POLBAPAF1MAPTGGPS1FDPS
SCHEMBL20985903 0.82 MAPT (0.60) POLBAPAF1MAPTGGPS1FDPS
SCHEMBL17042129 0.81 NPC1 (0.43) POLBNPC1RAB9AAPAF1MCL1
SCHEMBL861938 0.79 NPC1 (0.63) POLBNPC1RAB9AMAPTLMNA
SCHEMBL6281552 0.78 FGFR1 (0.52) POLBNPC1RAB9AAPAF1MAPT
SCHEMBL6176862 0.78 NPSR1 (0.46) POLBNPC1RAB9AAPAF1MAPT
SCHEMBL6284404 0.78 NPSR1 (0.46) POLBNPC1RAB9AAPAF1MAPT
SCHEMBL6176569 0.78 APAF1 (0.68) POLBAPAF1MAPTGGPS1FDPS
SCHEMBL6175278 0.78 APAF1 (0.68) POLBAPAF1MAPTGGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO 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 4412/4885NPC1 1805/4885RAB9A 1477/4885

“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.