SCHEMBL1663496

SCHEMBL1663496

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
CYP1A2 P05177 1/20 0.64
MAPT P10636 6/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
THRB P10828 1/20 0.56
PKM P14618 1/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL1663557 0.87 KMT2A (0.56) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL1663092 0.87 KMT2A (0.56) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL1662933 0.81 MAPT (0.72) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL1662920 0.78 ALDH1A1 (0.88) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL18341209 0.77 P2RX1 (0.63) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL7800600 0.76 MAPT (0.60) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL1662923 0.76 MAPT (0.72) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL6120691 0.76 KCNMA1 (0.63) KMT2AMEN1RAB9ASMN1; SMN2POLB
SCHEMBL1663744 0.75 MAPT (0.59) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL26151066 0.75 KIF18A (0.56) ALDH1A1KMT2AMEN1MAPTRAB9A

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 3228/4885KMT2A 2225/4885MEN1 1370/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885KMT2A 806/4885MEN1 1395/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885KMT2A 806/4885MEN1 1395/4885

“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.