SCHEMBL14745231

SCHEMBL14745231

CCc1cc(C(=O)OC)c(=O)n(Cc2ccc(OC)cc2OC)c1-c1ccc2c(c1)cc(CCN=[N+]=[N-])n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 4/20 0.35
GABRA1 P14867 3/20 0.35
GABRA5 P31644 2/20 0.35
TP53 P04637 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL14745593 0.89 GABRG2 (0.39) L3MBTL1MTNR1AMTNR1BGABRG2GABRB3
SCHEMBL14745624 0.88 GABRG2 (0.40) L3MBTL1MTNR1AMTNR1BGABRG2GABRB3
SCHEMBL14745444 0.86 LMNA (0.40) L3MBTL1MTNR1AMTNR1BHDAC3HDAC4
SCHEMBL14744995 0.85 L3MBTL1 (0.36) L3MBTL1MTNR1AMTNR1BGABRG2GABRB3
SCHEMBL14744696 0.83 L3MBTL1 (0.34) L3MBTL1MTNR1AMTNR1BGABRG2GABRB3
SCHEMBL14745369 0.82 L3MBTL1 (0.39) L3MBTL1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14745992 0.82 L3MBTL1 (0.35) L3MBTL1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14745268 0.81 KMT2A (0.41) EDNRBMAPTKDM4EALDH1A1LMNA
SCHEMBL14745536 0.76 MAOA (0.40) TP53HDAC3HDAC4HDAC1HDAC7
SCHEMBL16568448 0.76 MAPK8 (0.42) GABRG2GABRB3GABRA3GABRA2GABRA1

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 4 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 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

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 L3MBTL1 321/4885MTNR1A 3963/4885MTNR1B 3733/4885

“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.