SCHEMBL4166359

SCHEMBL4166359

CN(C)c1cc[nH]c(=O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
HCAR3 P49019 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 5/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 4/20 0.33

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
SCHEMBL4685683 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1CYP3A4TSHR
SCHEMBL1545421 0.75 ALDH1A1 (0.53) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL6082325 0.74 PTGS2 (0.34) MAPTALDH1A1KDM4EHTTKMT2A
SCHEMBL8128639 0.74 JAK2 (0.31) ALDH1A1
SCHEMBL26987802 0.74 MAPT (0.44) MAPTALDH1A1KDM4EHTTHCAR3
SCHEMBL2571514 0.73 ALDH1A1 (0.43) ALDH1A1TDP1TSHRKMT2APOLB
SCHEMBL563719 0.73 GPR35 (0.46) ALDH1A1KDM4ETDP1CYP1A2CYP3A4
SCHEMBL5360919 0.73 ALDH1A1 (0.43) MAPTALDH1A1TDP1CYP3A4TSHR
SCHEMBL15173464 0.69 ALDH1A1 (0.42) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL28113776 0.68 ALDH1A1 (0.67) MAPTALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 US disclosed
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 US disclosed
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 US disclosed
WO-2007014226-A2 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATION AND STROKE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-02-01 WO disclosed
WO-2007014226-A2 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATION AND STROKE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-02-01 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 (2 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-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 MAPT 239/4885ALDH1A1 1519/4885KDM4E 3160/4885
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 MAPT 239/4885ALDH1A1 1519/4885KDM4E 3160/4885

“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.