SCHEMBL1663978

SCHEMBL1663978

COc1ccc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HTR7 P34969 1/20 0.54
HTT P42858 1/20 0.54
APP P05067 1/20 0.49
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
ABCB1 P08183 2/20 0.48
MERTK Q12866 1/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 2/20 0.47
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12312144 0.86 PDGFRB (0.57) ALDH1A1HTR7HTTAPPABCB1
SCHEMBL375109 0.86 MAPT (0.53) ALDH1A1HTR7APPCYP3A4TSHR
SCHEMBL1662886 0.85 ALDH1A1 (0.65) ALDH1A1HTTCYP3A4TSHRMERTK
SCHEMBL4330380 0.85 MAPT (0.56) ALDH1A1HTR7HTTAPPTSHR
SCHEMBL9722263 0.85 MAPT (0.51) ALDH1A1HTR7APPTSHRABCB1
SCHEMBL717794 0.85 MAPT (0.71) ALDH1A1HTR7HTTAPPCYP3A4
SCHEMBL4407574 0.85 ALDH1A1 (0.50) ALDH1A1HTR7HTTAPPABCB1
SCHEMBL28874514 0.85 ALOX5 (0.57) ALDH1A1HTR7APPABCB1MERTK
SCHEMBL2947003 0.83 HTR7 (0.49) ALDH1A1HTR7HTTAPPABCB1
SCHEMBL3976788 0.82 TDP1 (0.64) ALDH1A1HTTCYP3A4TSHRMAPT

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 10 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
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN 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 3228/4885HTR7 3962/4885HTT 1692/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885HTR7 2641/4885HTT 864/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885HTR7 2641/4885HTT 864/4885

“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.