SCHEMBL1663092

SCHEMBL1663092

O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1N1CCSCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.56
MEN1 O00255 7/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 6/20 0.56
RAB9A P51151 3/20 0.56
THRB P10828 2/20 0.56
BCL2L2 Q92843 1/20 0.49
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 2/20 0.43
SIRT6 Q8N6T7 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1663496 0.87 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1663557 0.87 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1663093 0.80 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL6120691 0.76 KCNMA1 (0.63) KMT2AMEN1RAB9ASMN1; SMN2POLB
SCHEMBL3961517 0.75 HTT (0.59) KMT2AMEN1ALDH1A1MAPTTHRB
SCHEMBL1663908 0.75 NPC1 (0.64) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1663896 0.71 MEN1 (0.65) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL1663147 0.69 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL29992948 0.69 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1663324 0.68 SMN1; SMN2 (0.65) KMT2AMEN1ALDH1A1MAPTRAB9A

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

“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.