SCHEMBL1663676

SCHEMBL1663676

O=[N+]([O-])c1ccc(Nc2cccc(Br)c2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.54
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
FBP1 P09467 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
KIF11 P52732 1/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41

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
SCHEMBL28478693 0.80 EGFR (0.49) EGFRPTGESALOX5FBP1MEN1
SCHEMBL15984934 0.79 EGFR (0.55) EGFRFBP1MAPTL3MBTL1HPGD
SCHEMBL4063056 0.79 TDP1 (0.68) EGFRMEN1KMT2AMAPTL3MBTL1
SCHEMBL23579273 0.79 MEN1 (0.57) MEN1KMT2AMAPTHSP90AA1L3MBTL1
SCHEMBL11741296 0.78 KMT2A (0.65) EGFRPTGESALOX5MEN1KMT2A
SCHEMBL27542233 0.77 KIF11 (0.72) FBP1MEN1KMT2AMAPTKIF11
SCHEMBL29961149 0.76 RAPGEF4 (0.61) EGFRMEN1KMT2AMAPTHPGD
SCHEMBL1687027 0.76 RAPGEF4 (0.61) EGFRMEN1KMT2AMAPTHPGD
SCHEMBL29961547 0.76 RAPGEF4 (0.61) EGFRMEN1KMT2AMAPTHPGD
SCHEMBL1665931 0.75 L3MBTL1 (0.51) MEN1KMT2AMAPTHSP90AA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL EGFR 117/4885PTGES 1821/4885ALOX5 4476/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF EGFR 63/4885PTGES 1480/4885ALOX5 3940/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF EGFR 63/4885PTGES 1480/4885ALOX5 3940/4885

“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.