SCHEMBL8770716

SCHEMBL8770716

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3cccc4[nH]ccc34)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.53
GOT1 P17174 2/20 0.48
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ROCK1 Q13464 1/20 0.43
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1664061 0.95 DHPS (0.50) DHPSGOT1NPC1RAB9AGFER
SCHEMBL8770073 0.87 HRH3 (0.52) NPC1RAB9AGFERSMN1; SMN2MAPT
SCHEMBL8771583 0.84 RAB9A (0.47) NPC1RAB9AGFERKMT2AMEN1
SCHEMBL1664469 0.83 RAB9A (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13836571 0.83 NPC1 (0.42) NPC1RAB9AGFERKMT2AMEN1
SCHEMBL1664323 0.82 HRH3 (0.51) NPC1RAB9AGFERKMT2AMEN1
SCHEMBL1664936 0.81 HRH3 (0.52) NPC1RAB9AGFERSMN1; SMN2MAPT
SCHEMBL1664965 0.81 RAB9A (0.68) NPC1RAB9AGFERKMT2AMEN1
SCHEMBL13836253 0.80 NPC1 (0.42) NPC1RAB9AGFERKMT2AMEN1
SCHEMBL1667308 0.80 GRM5 (0.46) NPC1RAB9AGFERKMT2AMEN1

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 12 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-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-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-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-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
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 DHPS 1093/4885GOT1 4041/4885NPC1 4635/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF DHPS 2957/4885GOT1 4014/4885NPC1 4555/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF DHPS 2957/4885GOT1 4014/4885NPC1 4555/4885

“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.