SCHEMBL1664201

SCHEMBL1664201

Nc1ccc2c(-c3ccc([N+](=O)[O-])cc3)c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.58
CLK1 P49759 4/20 0.52
CDK5 Q00535 3/20 0.52
CDK5R1 Q15078 3/20 0.52
ASH1L Q9NR48 1/20 0.48
ALDH1A1 P00352 1/20 0.47
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
TDO2 P48775 3/20 0.46
ELANE P08246 1/20 0.44
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR9 Q9NR96 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 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
Potassium Ion SCHEMBL28059169 0.97 IMPDH2 (0.56) IMPDH2CLK1CDK5CDK5R1ASH1L
SCHEMBL1662845 0.83 IMPDH2 (0.75) IMPDH2CLK1CDK5CDK5R1ASH1L
SCHEMBL15712649 0.79 ELANE (0.62) IMPDH2CLK1CDK5CDK5R1ELANE
SCHEMBL14406226 0.79 ELANE (0.61) IMPDH2ALDH1A1DYRK1ADYRK1BTDO2
SCHEMBL1629463 0.77 CLK1 (0.49) CLK1CDK5CDK5R1DYRK1ADYRK1B
SCHEMBL15712534 0.77 IMPDH2 (0.71) IMPDH2CLK1CDK5CDK5R1ASH1L
SCHEMBL1664426 0.75 IMPDH2 (0.60) IMPDH2CLK1CDK5CDK5R1ASH1L
SCHEMBL6921930 0.75 ALDH1A1 (0.61) ALDH1A1MAPTRAB9AMEN1LMNA
SCHEMBL5684890 0.73 ALDH1A1 (0.59) ALDH1A1MAPTRAB9AMEN1LMNA
Hydrochloric Acid SCHEMBL6573069 0.73 ALDH1A1 (0.59) ALDH1A1MAPTRAB9AMEN1LMNA

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 IMPDH2 2087/4885CLK1 4514/4885CDK5 2375/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF IMPDH2 3371/4885CLK1 3346/4885CDK5 2127/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF IMPDH2 3371/4885CLK1 3346/4885CDK5 2127/4885

“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.