SCHEMBL8776003

SCHEMBL8776003

Cn1cccc1C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc4ccn(CCO)c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
CPT1A P50416 4/20 0.40
CPT2 P23786 2/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CPT1B Q92523 3/20 0.39
GRM1 Q13255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL1665556 0.81 NPC1 (0.41) EPHX2NR1H4CPT1ACPT2NPC1
SCHEMBL21254456 0.78 MAOB (0.48) HDAC6MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL1666561 0.77 HDAC6 (0.50) NR1H4HDAC1HDAC6NPC1RAB9A
SCHEMBL1663605 0.77 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1663608 0.76 RAB9A (0.45) HDAC6NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8772126 0.74 MAPT (0.48) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL1664454 0.74 RAB9A (0.52) HDAC1HDAC6NPC1RAB9APKM
SCHEMBL1666557 0.74 NPC1 (0.51) HDAC1HDAC6NPC1RAB9APKM
SCHEMBL21254898 0.73 MAOB (0.53) HDAC1CPT1ACPT2MAOBNPC1
SCHEMBL21254708 0.73 CNR2 (0.49) HDAC1HDAC6NPC1RAB9APKM

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 8 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
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 EPHX2 1184/4885NR1H4 3616/4885HDAC1 4382/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF EPHX2 3554/4885NR1H4 2939/4885HDAC1 2725/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF EPHX2 3554/4885NR1H4 2939/4885HDAC1 2725/4885

“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.