SCHEMBL1662920

SCHEMBL1662920

O=C(Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.88
MAPT P10636 6/20 0.88
PKM P14618 1/20 0.88
POLB P06746 2/20 0.82
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
CYP1A2 P05177 1/20 0.71
LMNA P02545 2/20 0.68
MAPK1 P28482 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.66
GAA P10253 2/20 0.63
SCN9A Q15858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MITF O75030 2/20 0.62
HSP90AA1 P07900 2/20 0.62
CSF1R P07333 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL7423165 0.88 ALDH1A1 (0.85) ALDH1A1MAPTPKMPOLBCYP2D6
SCHEMBL1662923 0.81 MAPT (0.72) ALDH1A1MAPTPKMPOLBKMT2A
SCHEMBL1663496 0.78 ALDH1A1 (0.64) ALDH1A1MAPTPKMPOLBKMT2A
SCHEMBL4255490 0.78 MAPT (0.73) ALDH1A1MAPTPKMCYP2C9KMT2A
SCHEMBL7427932 0.77 ALDH1A1 (0.85) ALDH1A1MAPTPKMPOLBKMT2A
SCHEMBL4250821 0.77 MAPT (0.71) ALDH1A1MAPTPKMCYP2C9KMT2A
SCHEMBL13148062 0.76 CSF1R (1.00) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL1662933 0.76 MAPT (0.72) ALDH1A1MAPTPKMKMT2AMEN1
SCHEMBL4251103 0.76 MAPT (0.71) ALDH1A1MAPTPKMCYP2C9KMT2A
SCHEMBL7430844 0.76 ALDH1A1 (0.72) ALDH1A1MAPTPKMPOLBKMT2A

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 ALDH1A1 3228/4885MAPT 4622/4885PKM 2701/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885PKM 2995/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885MAPT 4411/4885PKM 2995/4885

“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.