SCHEMBL8773493

SCHEMBL8773493

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.67
CYP17A1 P05093 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TRPV1 Q8NER1 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
CD274 Q9NZQ7 1/20 0.49
PRMT1 Q99873 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL21661749 0.95 NAMPT (0.72) NAMPTCYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL23999957 0.94 NAMPT (0.68) NAMPTNPC1RAB9AHDAC8HDAC6
SCHEMBL8770870 0.90 NAMPT (0.67) NAMPTCYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL17526122 0.89 NAMPT (0.73) NAMPTNPC1RAB9ASMN1; SMN2HDAC8
SCHEMBL22461618 0.89 NAMPT (0.65) NAMPTCYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL22461360 0.89 NAMPT (0.65) NAMPTCYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL22461364 0.88 POLB (0.67) NAMPTCYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL7076030 0.88 NPC1 (0.68) NAMPTCYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL7080560 0.88 NAMPT (0.64) NAMPTNPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL2062613 0.87 NAMPT (0.67) NAMPTNPC1RAB9ASMN1; SMN2MEN1

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 NAMPT 2248/4885CYP17A1 3524/4885NPC1 4635/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NAMPT 3076/4885CYP17A1 3989/4885NPC1 4555/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NAMPT 3076/4885CYP17A1 3989/4885NPC1 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.