SCHEMBL8769226

SCHEMBL8769226

CN(C)c1ccc(C(=O)N/N=C/c2cc(/C=N/NC(=O)c3ccc(N(C)C)cc3)cc(OCc3ccccc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 5/20 0.67
KDM4E B2RXH2 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 5/20 0.63
HPGD P15428 2/20 0.63
THRB P10828 1/20 0.63
MAPT P10636 9/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
NPC1 O15118 2/20 0.62
PKM P14618 1/20 0.62
ESRRG P62508 1/20 0.58
SPHK2 Q9NRA0 2/20 0.58
SPHK1 Q9NYA1 2/20 0.58
ADCYAP1R1 P41586 1/20 0.56
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 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
SCHEMBL15986624 0.91 KMT2A (0.58) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL12789179 0.89 MAPT (0.65) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL8769123 0.85 MAPT (0.58) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL12937903 0.84 HDAC8 (0.64) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL12937908 0.83 HDAC8 (0.61) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL8771506 0.83 HDAC6 (0.57) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL8768655 0.82 HDAC8 (0.64) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8769620 0.82 MAPT (0.63) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL8768047 0.81 MAPT (0.72) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL20328281 0.80 MAPT (0.89) KMT2AMEN1KDM4EL3MBTL1ALDH1A1

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 KMT2A 2225/4885MEN1 1370/4885KDM4E 3484/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885KDM4E 1944/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KMT2A 806/4885MEN1 1395/4885KDM4E 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.