SCHEMBL14757693

SCHEMBL14757693

CCNCc1cc2ccc(-c3[nH]c(=O)c(C(=O)O)c(O)c3C)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DAO P14920 2/20 0.32
METTL3 Q86U44 4/20 0.31
METTL14 Q9HCE5 4/20 0.31
OPRK1 P41145 1/20 0.31
DDO Q99489 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30

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 SCHEMBL14746173 0.99 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC8KDM4E
SCHEMBL14757690 0.89 KDM4E (0.33) HDAC3HDAC1HDAC2HDAC8KDM4E
Hydrochloric Acid SCHEMBL14744858 0.88 KDM4E (0.33) HDAC3HDAC1HDAC2HDAC8KDM4E
SCHEMBL14745195 0.79 MAOA (0.34) HDAC3HDAC1HDAC2HDAC8KDM4E
Hydrochloric Acid SCHEMBL17597230 0.79 MAOA (0.34) HDAC3HDAC1HDAC2HDAC8KDM4E
SCHEMBL14757692 0.77 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTDAO
SCHEMBL14745021 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL14745677 0.76 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTDAO
SCHEMBL17597567 0.75 DAO (0.35) DAO
Hydrochloric Acid SCHEMBL17597574 0.74 DAO (0.34) DAO

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-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 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
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 HDAC3 1578/4885HDAC1 1704/4885HDAC2 3244/4885

“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.