SCHEMBL1663656

SCHEMBL1663656

O=C(Nc1ccc2[nH]c(-c3ccc(N4CCC5(CC4)OCCO5)cc3)nc2c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CHEK2 O96017 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
MAPT P10636 5/20 0.48
ATM Q13315 1/20 0.48
HPSE Q9Y251 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
ROCK1 Q13464 1/20 0.45
LMNA P02545 3/20 0.45

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
SCHEMBL8768181 0.92 CHEK2 (0.57) KDM4EHPGDALDH1A1CHEK2SIRT2
SCHEMBL6126099 0.91 HPSE (0.57) KDM4EHPGDALDH1A1CHEK2SIRT2
SCHEMBL6126196 0.88 MAPT (0.56) KDM4EHPGDALDH1A1CHEK2SIRT2
SCHEMBL1663626 0.88 CHEK2 (0.54) KDM4EHPGDALDH1A1CHEK2SIRT2
SCHEMBL6120607 0.87 HPSE (0.59) KDM4EHPGDALDH1A1CHEK2MAPT
SCHEMBL8770662 0.87 MMP2 (0.60) KDM4EHPGDALDH1A1CHEK2MAPT
SCHEMBL1663993 0.87 HPSE (0.57) KDM4EHPGDALDH1A1CHEK2SIRT2
SCHEMBL12789757 0.86 CHEK2 (0.52) KDM4EHPGDALDH1A1CHEK2SIRT2
SCHEMBL1664926 0.86 ACHE (0.54) KDM4EHPGDALDH1A1CHEK2SIRT2
SCHEMBL8769091 0.86 CHEK2 (0.57) KDM4EHPGDALDH1A1CHEK2SIRT2

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 14 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-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-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-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
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US 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
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 KDM4E 3484/4885HPGD 737/4885ALDH1A1 3228/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KDM4E 1944/4885HPGD 1328/4885ALDH1A1 2736/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KDM4E 1944/4885HPGD 1328/4885ALDH1A1 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.