SCHEMBL1663896

SCHEMBL1663896

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
POLB P06746 3/20 0.65
MITF O75030 1/20 0.65
MAPT P10636 5/20 0.58
GAA P10253 1/20 0.58
HCAR3 P49019 1/20 0.57
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALOX5 P09917 1/20 0.55
BLM P54132 1/20 0.54

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
SCHEMBL11194941 0.88 AURKB (0.62) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL23424664 0.87 RAB9A (0.66) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL11308146 0.87 MAPK1 (0.61) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL29974575 0.87 MEN1 (0.60) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL11312302 0.87 MEN1 (0.64) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL29502906 0.87 MAPT (0.74) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL23579272 0.87 MEN1 (0.60) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL10005082 0.87 MAPT (0.74) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL1454593 0.87 MEN1 (0.72) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL9237760 0.87 MEN1 (0.72) MEN1KMT2ARAB9ANPC1POLB

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 MEN1 1370/4885KMT2A 2225/4885RAB9A 4230/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885RAB9A 3140/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885RAB9A 3140/4885

“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.