SCHEMBL14740984

SCHEMBL14740984

CCc1c(-c2ccc(N(CC)CC)cc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.39
KMT2A Q03164 10/20 0.39
GSK3B P49841 2/20 0.38
MAPT P10636 9/20 0.38
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
THRB P10828 2/20 0.35
GFER P55789 1/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL17595254 0.90 MEN1 (0.38) MEN1KMT2AGSK3BMAPTALDH1A1
SCHEMBL14740841 0.89 MAPT (0.36) MEN1KMT2AGSK3BMAPTKDM4E
SCHEMBL14745404 0.87 MAPT (0.37) MEN1KMT2AGSK3BMAPTALDH1A1
SCHEMBL14741155 0.85 GSK3A (0.37) MEN1KMT2AGSK3BMAPTALDH1A1
SCHEMBL14741215 0.84 KDM4E (0.39) GSK3BKDM4EGAANPC1RAB9A
SCHEMBL14741096 0.84 AURKA (0.36) GSK3BKDM4E
SCHEMBL27962148 0.83 PDE3B (0.33) GSK3BMAPTLMNAGAAPOLB
SCHEMBL14741302 0.83 L3MBTL1 (0.37) MEN1KMT2AGSK3BALDH1A1KDM4E
SCHEMBL14740959 0.83 SERPINE1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDMDM2
SCHEMBL14740980 0.83 PDE3B (0.41) GSK3BSMN1; SMN2LMNANPSR1HIF1A

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 12 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
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US claimed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
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
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US 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
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 MEN1 4630/4885KMT2A 4450/4885GSK3B 3565/4885

“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.