SCHEMBL8768655

SCHEMBL8768655

COc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
ESRRG P62508 1/20 0.64
MAPT P10636 9/20 0.63
KMT2A Q03164 6/20 0.63
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 4/20 0.63
NPC1 O15118 6/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 1/20 0.62
MPO P05164 1/20 0.60
CYP1A2 P05177 1/20 0.56
GFER P55789 1/20 0.55
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MIF P14174 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL12937850 0.89 HDAC8 (0.69) HDAC8HDAC6ESRRGMAPTKMT2A
SCHEMBL9755112 0.88 ESRRG (0.74) HDAC8HDAC6ESRRGMAPTKMT2A
SCHEMBL13497013 0.88 ESRRG (0.74) HDAC8HDAC6ESRRGMAPTKMT2A
SCHEMBL8769635 0.88 HDAC8 (0.72) HDAC8HDAC6ESRRGMAPTKMT2A
SCHEMBL8770558 0.88 KMT2A (0.67) MAPTKMT2AKDM4ENPC1RAB9A
SCHEMBL13569031 0.88 KMT2A (0.65) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL12791111 0.84 HDAC8 (0.81) HDAC8HDAC6ESRRGMAPTKMT2A
SCHEMBL13568904 0.84 MGAM (0.65) MAPTKMT2AALDH1A1KDM4ENPC1
SCHEMBL8771506 0.83 HDAC6 (0.57) HDAC8HDAC6ESRRGMAPTKMT2A
SCHEMBL8768051 0.83 HDAC8 (0.66) HDAC8HDAC6ESRRGMAPTKMT2A

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 HDAC8 3359/4885HDAC6 3930/4885ESRRG 162/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF HDAC8 1812/4885HDAC6 3025/4885ESRRG 228/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF HDAC8 1812/4885HDAC6 3025/4885ESRRG 228/4885

“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.