SCHEMBL1662856

SCHEMBL1662856

NCCSc1cc([N+](=O)[O-])ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
APOBEC3A P31941 1/20 0.40
HTT P42858 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 2/20 0.40
PDE7A Q13946 1/20 0.40
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 4/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
GPR35 Q9HC97 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
RAB9A P51151 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
SCHEMBL10346418 0.79 HSP90AA1 (0.46) KDM4EALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL9450473 0.79 KDM4E (0.51) KDM4EALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL4485136 0.79 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL10346417 0.76 PDE7A (0.43) KDM4EALDH1A1KMT2AAPOBEC3AHTT
Alcohol SCHEMBL15285492 0.74 KMT2A (0.41) KDM4EALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL1619390 0.73 LOXL2 (0.46) ALDH1A1GAATHRBMAPTLMNA
Alcohol SCHEMBL15285490 0.72 KMT2A (0.40) KDM4EALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL5477604 0.72 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL5280249 0.70 MAPT (0.57) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL12796841 0.70 NOS2 (0.45) KDM4EALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
EP-2488544-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION Monash University (AU) 2012-08-22 EP disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 WO disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 KDM4E 2542/4885ALDH1A1 2415/4885KMT2A 3029/4885

“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.