SCHEMBL14745671

SCHEMBL14745671

CCCC(=NC(C)(C)C)c1ccc2c(ccn2CCOC2CCCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PPARA Q07869 4/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 5/20 0.33
CREBBP Q92793 1/20 0.32
PLA2G4A P47712 1/20 0.32
EPHX2 P34913 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
P2RX3 P56373 2/20 0.32
ACHE P22303 1/20 0.31
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31

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
SCHEMBL14745670 1.00 NPC1 (0.36) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL14745252 0.85 MEN1 (0.42) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL21818907 0.81 MEN1 (0.55) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL31133372 0.81 MEN1 (0.55) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL16440984 0.79 PLG (0.33) PPARGPLA2G4APLGPLAUACHE
SCHEMBL14744854 0.79 PLG (0.33) PPARGPLA2G4APLGPLAUACHE
SCHEMBL14744855 0.79 PLG (0.33) PPARGPLA2G4APLGPLAUACHE
SCHEMBL14745057 0.76 TUBB4A (0.44) PPARANR1H2NR1H3PPARGPLA2G4A
SCHEMBL14745173 0.75 HTR7 (0.50) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL15560499 0.73 CYP2A6 (0.41) NPC1RAB9AMEN1KMT2AKDM4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (1 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP NPC1 1233/4885RAB9A 1346/4885MEN1 4630/4885

“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.