SCHEMBL14740834

SCHEMBL14740834

CN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2CC(O)CO)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.32
GUSB P08236 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 2/20 0.32
NEU4 Q8WWR8 1/20 0.32
NEU3 Q9UQ49 1/20 0.32
NEU2 Q9Y3R4 1/20 0.32
FFAR1 O14842 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
THRB P10828 1/20 0.31
GSK3B P49841 1/20 0.31
NOX1 Q9Y5S8 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
SCHEMBL16577248 0.91 TOP1 (0.34) TOP1MAPTKDM4EMEN1KMT2A
SCHEMBL14741193 0.87 TOP1 (0.36) TOP1MAPTKDM4EMEN1KMT2A
SCHEMBL14741284 0.85 TOP1 (0.34) TOP1MAPTKDM4EMEN1KMT2A
SCHEMBL14740841 0.84 MAPT (0.36) TOP1MAPTKDM4EMEN1KMT2A
SCHEMBL16568357 0.84 ALDH1A1 (0.47) MAPTKDM4EKMT2ALMNAMAPK1
SCHEMBL14741057 0.82 PPARG (0.39) TOP1MAPTKDM4EMEN1KMT2A
SCHEMBL14741217 0.81 GSK3B (0.37) TOP1MAPTKDM4EMEN1KMT2A
SCHEMBL14741175 0.81 MAPT (0.35) TOP1MAPTKDM4EMEN1KMT2A
SCHEMBL14741257 0.81 PDE3B (0.40) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL14740995 0.78 NPC1 (0.38) TOP1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US claimed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033240-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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TOP1 101/4885MAPT 4110/4885KDM4E 4305/4885

“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.