SCHEMBL528465

SCHEMBL528465

CN(C)c1ccncc1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
CHKA P35790 1/20 0.50
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAMPT P43490 1/20 0.38
MYC P01106 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
HBB P68871 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
Pyridine SCHEMBL251401 0.82 TDP1 (0.47) SMN1; SMN2ALDH1A1TP53TDP1NAMPT
Trimethylammonium SCHEMBL6671555 0.81 MYC (0.48) MAPTSMN1; SMN2ALDH1A1TP53TDP1
SCHEMBL10965132 0.81 ALDH1A1 (0.43) MAPTALDH1A1TP53TDP1NAMPT
SCHEMBL8778699 0.81 CHRM5 (0.46) CHRM5CHKAMAPTALDH1A1TDP1
SCHEMBL8429962 0.81 CHRM5 (0.46) CHRM5CHKAMAPTSMN1; SMN2ALDH1A1
Pyridine SCHEMBL28150876 0.80 TDP1 (0.46) SMN1; SMN2ALDH1A1TP53TDP1NAMPT
SCHEMBL1748 0.79 MYC (0.53) SMN1; SMN2ALDH1A1TP53TDP1MYC
SCHEMBL29392580 0.79 MYC (0.53) SMN1; SMN2ALDH1A1TP53TDP1MYC
Toluene SCHEMBL2454660 0.79 CHRM5 (0.55) CHRM5CHKAMAPTSMN1; SMN2ALDH1A1
Pyridine SCHEMBL28284596 0.79 TDP1 (0.49) SMN1; SMN2ALDH1A1TP53TDP1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023689-B2 Functional biodegradable polymers THE UNIVERSITY OF AKRON 2018-07-17 US claimed
US-20160229952-A1 FUNCTIONAL BIODEGRADABLE POLYMERS NATIONAL SCIENCE FOUNDATION 2016-08-11 US claimed
US-20130184429-A1 FUNCTIONAL BIODEGRADABLE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-07-18 US claimed
US-20100010194-A1 Method for Preparing a Polymer Conjugate NEKTAR THERAPEUTICS AL, CORPORATION 2010-01-14 US claimed
US-10023689-B2 Functional biodegradable polymers THE UNIVERSITY OF AKRON 2018-07-17 US disclosed
US-20160229952-A1 FUNCTIONAL BIODEGRADABLE POLYMERS NATIONAL SCIENCE FOUNDATION 2016-08-11 US disclosed
US-20130184429-A1 FUNCTIONAL BIODEGRADABLE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-07-18 US disclosed
EP-2598552-A1 FUNCTIONAL BIODEGRADABLE POLYMERS University Of Akron (US) 2013-06-05 EP disclosed
WO-2012015481-A1 FUNCTIONAL BIODEGRADABLE POLYMERS UNIVERSITY OF AKRON (US) 2012-02-02 WO disclosed
WO-2007087256-A2 METHOD OF PREPARING DENDRITIC DRUGS CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES (US) 2007-08-02 WO disclosed
EP-1734936-A2 AMPHIPHILIC STAR-LIKE OR SCOPRION-LIKE MACROMOLECULES, VARIOUS COMPOSITIONS AND USES THEREOF Rutgers, The State University (US) 2006-12-27 EP disclosed
WO-2005074887-A2 AMPHIPHILIC STAR-LIKE OR SCORPION-LIKE MACROMOLECULES, VARIOUS COMPOSITIONS AND USES THEREOF RUTGERS, THE STATE UNIVERSITY (US) 2005-08-18 WO disclosed
WO-2002054141-A2 DISCOTIC LIQUID CRYSTAL MATERIALS AND O-PLATE COMPENSATION FILMS MADE THEREFROM THE UNIVERSITY OF AKRON (US) 2002-07-11 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-20100010194-A1 Method for Preparing a Polymer Conjugate ALG1, PHOSPHO1, DDOST CHRM5 2111/4885CHKA 954/4885MAPT 822/4885

“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.