SCHEMBL16429281

SCHEMBL16429281

COC(=O)c1c(O)c2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1c(F)cc(Br)cc1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.37
MAPK8 P45983 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
EDNRB P24530 1/20 0.35
ALDH1A1 P00352 2/20 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
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HPGD P15428 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
SCHEMBL14746276 0.81 EGLN1 (0.40) EGLN1MAPTPOLBTDP1TSHR
SCHEMBL14745862 0.80 EGLN1 (0.40) EGLN1MAPTPOLBTDP1TSHR
SCHEMBL14745744 0.78 EGLN1 (0.39) EGLN1MAPTPOLBTSHREDNRB
SCHEMBL17495015 0.78 MAPT (0.38) EGLN1MAPTPOLBTDP1TSHR
SCHEMBL17895855 0.78 FABP4 (0.39) EGLN1MAPK8MAPTPOLBEDNRB
SCHEMBL17895775 0.77 EGLN1 (0.39) EGLN1MAPTPOLBTSHRALDH1A1
SCHEMBL14745965 0.77 EGLN1 (0.39) EGLN1MAPTPOLBTDP1TSHR
SCHEMBL17895953 0.76 HPGD (0.42) EGLN1MAPTPOLBTDP1TSHR
SCHEMBL17895820 0.76 ALDH1A1 (0.39) EGLN1MAPTPOLBTSHREDNRB
SCHEMBL16429060 0.76 ALDH1A1 (0.38) MAPTPOLBTDP1TSHREDNRB

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 2 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

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 EGLN1 712/4885MAPK8 3831/4885MAPT 4110/4885

“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.