SCHEMBL8770633

SCHEMBL8770633

CCOc1ccc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.80
ALDH1A1 P00352 2/20 0.80
CYP1A2 P05177 2/20 0.80
KDM4E B2RXH2 1/20 0.80
RAB9A P51151 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
TP53 P04637 1/20 0.78
KMT2A Q03164 6/20 0.73
LMNA P02545 2/20 0.73
MAPT P10636 4/20 0.72
POLB P06746 2/20 0.72
MEN1 O00255 4/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
P4HTM Q9NXG6 3/20 0.64
GAA P10253 1/20 0.64
PLK1 P53350 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
XDH P47989 1/20 0.62
CYP3A4 P08684 1/20 0.62

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
SCHEMBL1666121 0.89 NPC1 (0.65) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL10880536 0.89 NPC1 (0.78) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL8361562 0.89 NPC1 (0.78) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL97061 0.88 NPC1 (0.76) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL31396781 0.88 NPC1 (1.00) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL7635847 0.87 NPC1 (0.84) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL10294777 0.87 NPC1 (0.79) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL2920230 0.87 NPC1 (0.74) NPC1ALDH1A1CYP1A2KDM4ERAB9A
SCHEMBL7302201 0.86 NPC1 (0.74) NPC1ALDH1A1CYP1A2KDM4ERAB9A
Iodide SCHEMBL30758616 0.86 NPC1 (0.82) NPC1ALDH1A1CYP1A2KDM4ERAB9A

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 NPC1 4635/4885ALDH1A1 3228/4885CYP1A2 4797/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885ALDH1A1 2736/4885CYP1A2 4846/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885ALDH1A1 2736/4885CYP1A2 4846/4885

“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.