SCHEMBL8771803

SCHEMBL8771803

CCN(CC)c1ccc(C(=O)N/N=C/c2cccc(/C=N/NC(=O)c3ccc(N(CC)CC)cc3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 3/20 0.74
MAPT P10636 12/20 0.73
KDM4E B2RXH2 10/20 0.73
ALDH1A1 P00352 9/20 0.73
KMT2A Q03164 6/20 0.73
MEN1 O00255 5/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HPGD P15428 2/20 0.73
TP53 P04637 1/20 0.73
CYP3A4 P08684 1/20 0.73
ALOX15 P16050 1/20 0.73
TSHR P16473 1/20 0.73
CASP1 P29466 1/20 0.73
HSD17B10 Q99714 1/20 0.73
HDAC8 Q9BY41 1/20 0.61
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58

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
SCHEMBL12937859 0.90 MAPT (0.69) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL8769111 0.89 ESRRG (0.60) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL15315410 0.85 ESRRG (1.00) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL12791111 0.85 HDAC8 (0.81) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL1131315 0.84 MAPT (1.00) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL1129782 0.84 MAPT (1.00) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL1131313 0.84 MAPT (1.00) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL12791042 0.84 KDM4E (0.57) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL15315413 0.83 MAPT (0.79) ESRRGMAPTKDM4EALDH1A1KMT2A
SCHEMBL15315409 0.82 MAPT (0.77) ESRRGMAPTKDM4EALDH1A1KMT2A

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 7 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
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US 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 ESRRG 162/4885MAPT 4622/4885KDM4E 3484/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ESRRG 228/4885MAPT 4411/4885KDM4E 1944/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ESRRG 228/4885MAPT 4411/4885KDM4E 1944/4885

“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.