SCHEMBL2082944

SCHEMBL2082944

O=C(Nc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
MAPT P10636 7/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MYOC Q99972 1/20 0.57
CNR1 P21554 1/20 0.53
GAA P10253 2/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MGLL Q99685 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL3573967 0.92 MAPT (0.66) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL8776629 0.87 MAPT (0.59) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL14601827 0.85 MAPT (0.57) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL4963324 0.85 MAPT (0.57) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL95959 0.85 KMT2A (0.57) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL6261538 0.85 MAPT (0.62) KMT2AMEN1MAPTHTTALDH1A1
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.85 ALDH1A1 (0.62) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL3884016 0.85 KMT2A (0.55) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL31308883 0.84 MAPT (0.57) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL13780774 0.84 MAPT (0.57) KMT2AMEN1MAPTHTTALDH1A1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 WO disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7666895-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-02-23 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 CN disclosed
CN-1756747-A Anti-inflammatory agents DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 CN disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 US disclosed
EP-1585734-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2005-10-19 EP disclosed
EP-1585827-A2 MODULATION OF PROTEIN FUNCTIONALITIES Deciphera Pharmaceuticals, LLC (US) 2005-10-19 EP disclosed
US-20040180906-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2004-09-16 US disclosed
US-20040171075-A1 Modulation of protein functionalities DECIPHERA PHARMACEUTICALS, LLC 2004-09-02 US disclosed
WO-2004061084-A2 MODULATION OF PROTEIN FUNCTIONALITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 WO disclosed
WO-2004060306-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2004-07-22 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 (4 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-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF KMT2A 3925/4885MEN1 4863/4885MAPT 2137/4885
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 KMT2A 1976/4885MEN1 4719/4885MAPT 2945/4885
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 KMT2A 2977/4885MEN1 4734/4885MAPT 2609/4885
US-20040180906-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF KMT2A 3925/4885MEN1 4863/4885MAPT 2137/4885

“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.