SCHEMBL8770602

SCHEMBL8770602

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
MAPT P10636 3/20 0.59
RAB9A P51151 6/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
MCL1 Q07820 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 7/20 0.56
CYP1A2 P05177 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 2/20 0.56
STAT3 P40763 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
TP53 P04637 2/20 0.55
MCHR1 Q99705 2/20 0.54
ALOX15 P16050 1/20 0.54
XDH P47989 1/20 0.52
FFAR1 O14842 1/20 0.51

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
SCHEMBL5180990 0.95 MAPT (0.64) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL22192224 0.95 MAPT (0.64) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL22192232 0.87 SMN1; SMN2 (0.62) MAPTRAB9AKDM4EALDH1A1TSHR
SCHEMBL12789403 0.86 MEN1 (0.75) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7294640 0.85 TRPV1 (0.63) MAPTRAB9AKDM4EALDH1A1TSHR
SCHEMBL1816349 0.85 GAA (0.85) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL22192247 0.83 KMT2A (0.56) MAPTRAB9AKDM4EALDH1A1TSHR
SCHEMBL5181024 0.83 THRB (0.60) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8770633 0.83 NPC1 (0.80) GAAMAPTRAB9AKDM4EALDH1A1
SCHEMBL1663757 0.82 NPC1 (0.54) MAPTRAB9AKDM4EALDH1A1TSHR

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 GAA 2365/4885MAPT 4622/4885RAB9A 4230/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF GAA 1915/4885MAPT 4411/4885RAB9A 3140/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF GAA 1915/4885MAPT 4411/4885RAB9A 3140/4885

“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.