SCHEMBL8772126

SCHEMBL8772126

Cn1cccc1C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(OCCO)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MCHR1 Q99705 2/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MCL1 Q07820 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
STAT3 P40763 1/20 0.46
NPC1 O15118 6/20 0.45
CYP1A2 P05177 1/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45

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
SCHEMBL1666561 0.83 HDAC6 (0.50) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL5180990 0.80 MAPT (0.64) MAPTTSHRHSD17B10MCHR1HPGD
SCHEMBL22192224 0.80 MAPT (0.64) MAPTTSHRHSD17B10MCHR1HPGD
SCHEMBL1664454 0.80 RAB9A (0.52) MAPTTSHRHSD17B10RAB9AALDH1A1
SCHEMBL1664080 0.78 HPGDS (0.46) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL1666557 0.77 NPC1 (0.51) MAPTHPGDRAB9AALDH1A1MEN1
SCHEMBL8770602 0.76 GAA (0.64) MAPTTSHRHSD17B10MCHR1RAB9A
SCHEMBL21254776 0.75 RAB9A (0.50) MAPTHPGDRAB9AALDH1A1MEN1
SCHEMBL7294640 0.74 TRPV1 (0.63) MAPTTSHRHSD17B10RAB9AALDH1A1
SCHEMBL8776003 0.74 EPHX2 (0.41) MAPTHPGDRAB9AMEN1KMT2A

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 MAPT 4622/4885TSHR 1674/4885HSD17B10 4105/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885TSHR 1185/4885HSD17B10 4495/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885TSHR 1185/4885HSD17B10 4495/4885

“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.