SCHEMBL8769811

SCHEMBL8769811

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.83
NPC1 O15118 5/20 0.83
HIF1A Q16665 5/20 0.81
EPAS1 Q99814 5/20 0.81
MAPK1 P28482 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
LMNA P02545 4/20 0.72
TSHR P16473 2/20 0.72
MAPT P10636 1/20 0.72
STAT3 P40763 1/20 0.72
CACNA1B Q00975 1/20 0.72
APBA1 Q02410 1/20 0.72
SAE1 Q9UBE0 1/20 0.72
UBA2 Q9UBT2 1/20 0.72
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 2/20 0.70
TP53 P04637 2/20 0.70
POLB P06746 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.69
MEN1 O00255 1/20 0.69

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
SCHEMBL28648364 0.91 RAB9A (1.00) RAB9ANPC1HIF1AEPAS1MAPK1
SCHEMBL21024443 0.91 RAB9A (1.00) RAB9ANPC1HIF1AEPAS1MAPK1
Hydrochloric Acid SCHEMBL31072328 0.90 RAB9A (0.97) RAB9ANPC1HIF1AEPAS1MAPK1
Hydrochloric Acid SCHEMBL31072327 0.90 RAB9A (0.97) RAB9ANPC1HIF1AEPAS1MAPK1
SCHEMBL14409565 0.90 RAB9A (0.79) RAB9ANPC1HIF1AEPAS1MAPK1
Hydrochloric Acid SCHEMBL31072329 0.90 RAB9A (0.97) RAB9ANPC1HIF1AEPAS1MAPK1
SCHEMBL21657710 0.89 HIF1A (1.00) RAB9ANPC1HIF1AEPAS1MAPK1
SCHEMBL8027548 0.87 HPGD (0.68) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
SCHEMBL24024131 0.86 RAB9A (0.91) RAB9ANPC1HIF1AEPAS1MAPK1
Hydrochloric Acid SCHEMBL27789112 0.85 HPGD (0.66) RAB9ANPC1HIF1AEPAS1SMN1; SMN2

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 RAB9A 4230/4885NPC1 4635/4885HIF1A 97/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885NPC1 4555/4885HIF1A 145/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885NPC1 4555/4885HIF1A 145/4885

“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.