SCHEMBL1662933

SCHEMBL1662933

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.72
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MAPK1 P28482 3/20 0.60
PKM P14618 2/20 0.60
ATM Q13315 1/20 0.60
TP53 P04637 1/20 0.60
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 2/20 0.58
RAC1 P63000 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL1662923 0.93 MAPT (0.72) MAPTHDAC8HDAC6NPC1RAB9A
SCHEMBL1663324 0.90 SMN1; SMN2 (0.65) MAPTNPC1RAB9AMAPK1PKM
SCHEMBL1663141 0.89 SMN1; SMN2 (0.67) MAPTNPC1RAB9AMAPK1PKM
SCHEMBL1663093 0.87 MAPT (0.55) MAPTNPC1RAB9AMAPK1ATM
SCHEMBL1663555 0.87 MAPT (0.55) MAPTRAB9AMAPK1ALDH1A1KMT2A
SCHEMBL1663264 0.87 ALDH1A1 (0.69) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL13779187 0.85 MEN1 (0.74) MAPTHDAC8HDAC6NPC1RAB9A
SCHEMBL1663744 0.85 MAPT (0.59) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL1663479 0.82 MAPT (0.69) MAPTMAPK1PKMALDH1A1KMT2A
SCHEMBL1663717 0.82 MAPT (0.49) MAPTNPC1RAB9AMAPK1ATM

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 12 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
CN-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 CN 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 4622/4885HDAC8 3359/4885HDAC6 3930/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885HDAC8 1812/4885HDAC6 3025/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885HDAC8 1812/4885HDAC6 3025/4885

“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.