SCHEMBL1114499

SCHEMBL1114499

CN(Cc1cccc(-c2ccncc2)c1)C(=O)c1nc(-c2cc(Cl)c(O)c(Cl)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.46
MGLL Q99685 1/20 0.45
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HSD17B2 P37059 7/20 0.43
HSD17B1 P14061 5/20 0.43
AOC3 Q16853 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
USP30 Q70CQ3 1/20 0.40
SCD5 Q86SK9 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL1114280 0.91 PSMB5 (0.44) TP53HSD17B2HSD17B1SCD5
SCHEMBL3243695 0.90 HSD17B2 (0.41) TP53HSD17B2HSD17B1AOC3SCD5
SCHEMBL1114294 0.90 TP53 (0.42) TP53HSD17B2HSD17B1AOC3SCD5
SCHEMBL1114534 0.86 HDAC3 (0.51) TP53LMNAMAPTSCD5HDAC3
SCHEMBL1114380 0.83 HDAC1 (0.47) TP53LMNAMAPTSCD5HDAC3
SCHEMBL1114299 0.82 HSD17B2 (0.43) TP53LMNAMAPTHSD17B2SCD5
SCHEMBL3243533 0.82 HDAC1 (0.45) TP53LMNAMAPTHSD17B2HSD17B1
SCHEMBL1114652 0.81 MEN1 (0.42) TP53LMNAMAPTTHRBHSD17B2
SCHEMBL1114218 0.81 HDAC1 (0.40) TP53LMNAMAPTHSD17B2HSD17B1
SCHEMBL1114551 0.80 POLB (0.41) MGLLTP53LMNAHSD17B2HDAC3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278879-B1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES PATH DRUG SOLUTIONS (US) 2016-06-15 EP claimed
US-8207205-B2 Compounds, compositions and methods comprising oxadiazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2012-06-26 US claimed
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP claimed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US claimed
EP-2278879-B1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES PATH DRUG SOLUTIONS (US) 2016-06-15 EP disclosed
US-8796321-B2 Compounds, compositions and methods comprising oxadiazole derivatives PATH DRUG SOLUTIONS (US) 2014-08-05 US disclosed
US-8796321-B2 Compounds, compositions and methods comprising oxadiazole derivatives PATH DRUG SOLUTIONS (US) 2014-08-05 US disclosed
US-8796321-B2 Compounds, compositions and methods comprising oxadiazole derivatives PATH DRUG SOLUTIONS (US) 2014-08-05 US disclosed
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2012-10-18 US disclosed
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2012-10-18 US disclosed
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2012-10-18 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (4 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ABHD6 2437/4885MGLL 3833/4885TP53 721/4885
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 ABHD6 1804/4885MGLL 3875/4885TP53 1678/4885
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 ABHD6 1804/4885MGLL 3875/4885TP53 1678/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ABHD6 2437/4885MGLL 3833/4885TP53 721/4885

“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.