SCHEMBL1665698

SCHEMBL1665698

O=C(Nc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1)C(=O)Nc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
RAB9A P51151 2/20 0.56
HSD17B10 Q99714 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
CHEK2 O96017 3/20 0.55
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
PARP1 P09874 1/20 0.52
PDPK1 O15530 3/20 0.52
MAPT P10636 3/20 0.49
DGAT1 O75907 1/20 0.48
BAZ1A Q9NRL2 1/20 0.47
FLT3 P36888 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
APP P05067 1/20 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
SCHEMBL8768791 0.96 CHEK2 (0.58) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL8768181 0.90 CHEK2 (0.57) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL6126099 0.89 HPSE (0.57) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL8770662 0.88 MMP2 (0.60) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL1663626 0.87 CHEK2 (0.54) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL1665238 0.87 CHEK2 (0.51) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL8769091 0.86 CHEK2 (0.57) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL8772053 0.86 CHEK2 (0.57) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL6120607 0.86 HPSE (0.59) ALDH1A1KDM4ERAB9AHSD17B10NPC1
SCHEMBL5191764 0.86 SIRT2 (0.52) ALDH1A1KDM4ERAB9AHSD17B10NPC1

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 3228/4885KDM4E 3484/4885RAB9A 4230/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885KDM4E 1944/4885RAB9A 3140/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885KDM4E 1944/4885RAB9A 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.