SCHEMBL14745969

SCHEMBL14745969

COC(=O)c1c(O)c2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1ccc(Br)cc1OCC2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MAPK8 P45983 1/20 0.37
LMNA P02545 1/20 0.37
EDNRB P24530 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
EGLN1 Q9GZT9 2/20 0.35
ROCK2 O75116 1/20 0.35
MAPT P10636 4/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL14746077 0.82 TSHR (0.37) ALDH1A1HPGDEDNRBMEN1KMT2A
SCHEMBL14745810 0.79 MEN1 (0.39) ALDH1A1LMNAEDNRBMEN1KMT2A
SCHEMBL14746215 0.78 MEN1 (0.40) ALDH1A1LMNAEDNRBMEN1KMT2A
SCHEMBL14741329 0.75 EGLN1 (0.39) ALDH1A1MAPK8LMNAEDNRBMEN1
SCHEMBL14741316 0.75 EGLN1 (0.39) ALDH1A1HPGDLMNAEDNRBMEN1
SCHEMBL17895859 0.71 TSHR (0.40) ALDH1A1MEN1KMT2AEGLN1MAPT
SCHEMBL16428983 0.69 EGLN1 (0.32) ALDH1A1LMNAMEN1KMT2AEGLN1
SCHEMBL14746276 0.68 EGLN1 (0.40) ALDH1A1HPGDEDNRBMEN1KMT2A
SCHEMBL14745862 0.68 EGLN1 (0.40) ALDH1A1HPGDEDNRBMEN1KMT2A
SCHEMBL16429281 0.68 EGLN1 (0.37) ALDH1A1HPGDMAPK8EDNRBMEN1

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
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP ALDH1A1 3792/4885HPGD 1279/4885MAPK8 3831/4885

“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.