SCHEMBL14758802

SCHEMBL14758802

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2C[C@H]3CN(C)C[C@H]3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KCNH2 Q12809 2/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HTR7 P34969 2/20 0.33
CNR2 P34972 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 SCHEMBL14745293 0.99 CHRNA7 (0.35) CHRNA7CHRNB2CHRNA4KCNH2PARP1
SCHEMBL16577239 0.89 KCNH2 (0.36) KCNH2PARP1PARP2PDE3BPDE3A
SCHEMBL14758779 0.89 BPTF (0.41) CHRNA7CHRNB2CHRNA4KCNH2PDE3B
SCHEMBL14745244 0.89 KCNH2 (0.36) KCNH2PARP1PARP2PDE3BPDE3A
Hydrochloric Acid SCHEMBL14745298 0.88 BPTF (0.40) CHRNA7CHRNB2CHRNA4
SCHEMBL14745248 0.88 KCNH2 (0.36) KCNH2PARP1PARP2PDE3BPDE3A
SCHEMBL14741158 0.87 KCNH2 (0.35) KCNH2PARP1PARP2PDE3BPDE3A
SCHEMBL14745375 0.87 PDE3B (0.37) KCNH2PARP1PARP2PDE3BPDE3A
SCHEMBL14758800 0.86 PARP1 (0.44) PARP1PARP2PDE3BPDE3AHTR7
SCHEMBL16567885 0.86 HRH3 (0.46) CHRNA7KCNH2PARP1PARP2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO 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
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 CHRNA7 4880/4885CHRNB2 4874/4885CHRNA4 4885/4885

“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.