SCHEMBL14740975

SCHEMBL14740975

CCc1c(-c2ccc3c(c2)cc(CN2CCC(N(C)C)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.37
TLR7 Q9NYK1 6/20 0.37
KCNH2 Q12809 1/20 0.36
PARP1 P09874 4/20 0.35
TNKS O95271 1/20 0.35
PARP2 Q9UGN5 1/20 0.34
TLR8 Q9NR97 4/20 0.34
MCHR1 Q99705 1/20 0.33
FAAH O00519 1/20 0.33
ADORA2B P29275 1/20 0.32
MAOA P21397 2/20 0.32
RORC P51449 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 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
Hydrochloric Acid SCHEMBL17597791 0.99 TLR9 (0.36) TLR9TLR7KCNH2PARP1TNKS
SCHEMBL14745496 0.95 KCNH2 (0.38) TLR9TLR7KCNH2PARP1TNKS
Hydrochloric Acid SCHEMBL17597461 0.94 KCNH2 (0.38) TLR9TLR7KCNH2PARP1TNKS
SCHEMBL14740957 0.92 TNKS (0.34) TLR9TLR7KCNH2TNKSTLR8
SCHEMBL14744839 0.92 ALDH1A1 (0.38) TLR9TLR7TLR8MCHR1FAAH
Hydrochloric Acid SCHEMBL17597414 0.91 TNKS (0.33) TLR9TLR7KCNH2TNKSTLR8
Hydrochloric Acid SCHEMBL17597936 0.91 ALDH1A1 (0.37) TLR9TLR7TLR8MCHR1FAAH
SCHEMBL14745093 0.91 ENPP2 (0.36) TLR9TLR7TLR8MCHR1FAAH
SCHEMBL14741010 0.91 KCNH2 (0.36) TLR9TLR7KCNH2TLR8
Hydrochloric Acid SCHEMBL17597604 0.90 ENPP2 (0.35) TLR9TLR7TLR8MCHR1FAAH

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 16 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 claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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
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 TLR9 392/4885TLR7 702/4885KCNH2 3306/4885

“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.