SCHEMBL1666561

SCHEMBL1666561

Cn1cccc1C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(CCO)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
NR1H4 Q96RI1 2/20 0.43

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
SCHEMBL1666557 0.95 NPC1 (0.51) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8772126 0.83 MAPT (0.48) NPC1RAB9AL3MBTL1NFKB1NFKB2
SCHEMBL1664454 0.83 RAB9A (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8776243 0.81 HDAC1 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21254776 0.78 RAB9A (0.50) HDAC6HDAC1NPC1RAB9AL3MBTL1
SCHEMBL8776003 0.77 EPHX2 (0.41) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1664451 0.77 NPC1 (0.47) HDAC6HDAC1NPC1RAB9AL3MBTL1
SCHEMBL1664782 0.77 NPC1 (0.66) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL8770348 0.75 NPC1 (0.51) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1664080 0.75 HPGDS (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 EP 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-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 HDAC6 3930/4885HDAC1 4382/4885HDAC3 4338/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF HDAC6 3025/4885HDAC1 2725/4885HDAC3 3607/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF HDAC6 3025/4885HDAC1 2725/4885HDAC3 3607/4885

“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.