SCHEMBL2053980

SCHEMBL2053980

[c]1ccccc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.43
IDO1 P14902 1/20 0.41
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
PDE5A O76074 1/20 0.36
ACP1 P24666 1/20 0.36
OGG1 O15527 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL12471150 0.90 KDM4E (0.34) KDM4EGAAMAPTHSD17B10IDO1
SCHEMBL3116134 0.81 MAPK1 (0.44) MAPK1
SCHEMBL7535039 0.81 SMN1; SMN2 (0.40) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL3512656 0.79 POLB (0.46)
SCHEMBL20448535 0.77 MKNK1 (0.31)
SCHEMBL27507936 0.77 CA1 (0.39) IDO1
SCHEMBL20448343 0.75 ADORA3 (0.38) MAPK1
SCHEMBL7651120 0.75 ALDH1A1 (0.49) KDM4EGAAHSD17B10RAB9ASMN1; SMN2
SCHEMBL15010232 0.73 KDM4E (0.57) KDM4EGAAMAPTBCHEACHE
SCHEMBL16319839 0.73 KDM4E (0.42) KDM4EGAAMAPTHSD17B10IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 EP disclosed
US-8524745-B2 Benzisothiazol-3(1H)-one-5-sulfonyl derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 EP disclosed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 WO disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP 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-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CCR2, CX3CR1 KDM4E 4735/4885GAA 4128/4885MAPT 4339/4885

“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.