SCHEMBL14745241

SCHEMBL14745241

CCc1c(-c2cc3c(N4CCCC4)nc(C)cn3n2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TMIGD3 P0DMS9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 3/20 0.31
BAZ2A Q9UIF9 1/20 0.31
MEN1 O00255 1/20 0.31
KCNH2 Q12809 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
SCHEMBL14745720 0.83 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL14744947 0.75 PARP1 (0.33) KMT2AALDH1A1BAZ2AMEN1
SCHEMBL14745359 0.71 PSMD14 (0.38) KMT2AL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14745236 0.70 CNR2 (0.38) KDM4E
SCHEMBL14744809 0.70 ALDH1A1 (0.36) NPY5RKMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14745409 0.70 GFER (0.39) KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL14747044 0.70 KIF11 (0.41) NPY5RRAB9ANPC1KMT2AL3MBTL1
SCHEMBL14745613 0.70 ALDH1A1 (0.35) RAB9AKDM4EKMT2AL3MBTL1TMIGD3
SCHEMBL14744987 0.69 ALDH1A1 (0.37) NPY5RKDM4EKMT2AL3MBTL1SMN1; SMN2
SCHEMBL14745564 0.69 KIF11 (0.42) NPY5RRAB9ANPC1KMT2ASMN1; SMN2

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 15 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
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 NPY5R 4635/4885HCRTR1 4803/4885HCRTR2 4842/4885

“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.