SCHEMBL1663359

SCHEMBL1663359

COCCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.47
RECQL P46063 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8495069 0.95 ALDH1A1 (0.53) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL16025774 0.87 MAPT (0.64) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL16665240 0.87 MAPT (0.50) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL6377931 0.86 KMT2A (0.57) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL5763991 0.86 MAPT (0.76) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL25435452 0.86 ALDH1A1 (0.56) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL15541009 0.86 MAPT (0.48) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL22382379 0.86 MAPT (0.51) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL1981549 0.86 MAPT (0.51) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL2477575 0.86 MAPT (0.58) MAPTALDH1A1HTTKMT2ALMNA

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 11 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
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN 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 MAPT 4622/4885ALDH1A1 3228/4885HTT 1692/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885ALDH1A1 2736/4885HTT 864/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885ALDH1A1 2736/4885HTT 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.