SCHEMBL3363203

SCHEMBL3363203

CCN(CC)c1ccc2c(C=[N+]=[N-])cc(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
IGLV6-57 P01721 6/20 0.61
GLA P06280 5/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
HPGD P15428 5/20 0.61
ATM Q13315 4/20 0.61
CYP3A4 P08684 3/20 0.61
CASP1 P29466 3/20 0.61
CASP7 P55210 3/20 0.61
HSD17B10 Q99714 3/20 0.61
MAPK1 P28482 2/20 0.61
HIF1A Q16665 2/20 0.61
KDM4E B2RXH2 7/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 5/20 0.60
TDP1 Q9NUW8 5/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60

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
SCHEMBL5964558 0.84 ALDH1A1 (0.72) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL22265905 0.84 ALDH1A1 (0.68) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL22927922 0.80 ALDH1A1 (0.61) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL67108 0.76 ALDH1A1 (1.00) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL29362472 0.76 ALDH1A1 (1.00) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL384286 0.76 ALDH1A1 (1.00) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL6690441 0.76 ALDH1A1 (0.73) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL1942067 0.75 ALDH1A1 (1.00) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL5964617 0.75 ALDH1A1 (0.71) ALDH1A1IGLV6-57GLAL3MBTL1HPGD
SCHEMBL12651810 0.75 ALDH1A1 (1.00) ALDH1A1IGLV6-57GLAL3MBTL1HPGD

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-20060008907-A1 Control of gene expression via light activated RNA interference THE CURATORS OF THE UNIVERSITY OF MISSOURI 2006-01-12 US disclosed
US-6818454-B2 MONITORING PHOSPHORYLATION STATES OF ONE OR MORE PROTEINS; OBTAIN PROTEIN SAMPLE, INCUBATE WITH LABEL, MONITOR SAMPLE FOR SIGNAL FROM BOUND PROTEINS BATTELLE MEMORIAL INSTITUTE 2004-11-16 US disclosed
WO-2002066988-A2 PHOSPHOPROTEIN BINDING AGENTS AND METHODS OF THEIR USE BATTELLE MEMORIAL INSTITUTE (US) 2002-08-29 WO disclosed
US-20020119505-A1 Phosphoprotein binding agents and methods of their use U.S. DEPARTMENT OF ENERGY 2002-08-29 US disclosed
US-5686310-A Method for determination of the amount of either phosphotyrosine or phosphoserine in a protein UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 1997-11-11 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A ALDH1A1 2240/4885IGLV6-57 3616/4885GLA 4273/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 ALDH1A1 785/4885IGLV6-57 1628/4885GLA 1447/4885

“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.