SCHEMBL535219

SCHEMBL535219

O=Cc1ccc(Cl)c(F)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.42
ARNT P27540 1/20 0.39
EPAS1 Q99814 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ERN1 O75460 2/20 0.35
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL28037942 0.83 TSHR (0.52) VCAM1TSHRALDH1A1TDP1HSD17B10
SCHEMBL1592576 0.81 ERN1 (0.37) VCAM1ARNTEPAS1TSHRALDH1A1
SCHEMBL31413408 0.81 ERN1 (0.37) VCAM1ARNTEPAS1TSHRALDH1A1
SCHEMBL9712497 0.79 ALDH1A1 (0.42) TSHRALDH1A1TDP1HSD17B10ERN1
SCHEMBL11868078 0.79 ERN1 (0.46) VCAM1TSHRALDH1A1TDP1ERN1
SCHEMBL4847750 0.78 TSHR (0.45) VCAM1TSHRALDH1A1TDP1HSD17B10
SCHEMBL11303709 0.77 ALDH1A1 (0.48) VCAM1ARNTEPAS1TSHRALDH1A1
SCHEMBL31401924 0.75 TDP1 (0.41) VCAM1ARNTEPAS1TSHRALDH1A1
SCHEMBL9712359 0.75 VCAM1 (0.42) VCAM1TSHRALDH1A1TDP1HSD17B10
SCHEMBL2925877 0.75 ERN1 (0.44) TSHRALDH1A1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
CN-102718775-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV 2012-10-10 CN disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
EP-1697384-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-06 EP disclosed
CN-1794996-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV (BE) 2006-06-28 CN disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2005058913-A1 PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI- PROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-30 WO disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 VCAM1 4576/4885ARNT 183/4885EPAS1 3285/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 VCAM1 4632/4885ARNT 119/4885EPAS1 2890/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 VCAM1 4630/4885ARNT 189/4885EPAS1 3302/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 VCAM1 4741/4885ARNT 232/4885EPAS1 3653/4885

“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.