SCHEMBL1114523

SCHEMBL1114523

O=C(NCc1ccc(F)c(F)c1)c1noc(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
TP53 P04637 1/20 0.43
PPARG P37231 6/20 0.42
CHRM4 P08173 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.40
MMP13 P45452 1/20 0.40
PDPK1 O15530 1/20 0.39
S1PR3 Q99500 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
MAPK10 P53779 1/20 0.38

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
SCHEMBL13447621 0.95 MAOB (0.41) MAOBTP53PPARGMAPK1HDAC1
SCHEMBL1114228 0.90 TP53 (0.51) MAOBTP53
SCHEMBL1114135 0.90 HDAC1 (0.37) MAOBTP53PPARGPDPK1HDAC1
SCHEMBL3247134 0.90 P2RX7 (0.41) MAOBTP53MMP13HDAC1HDAC6
SCHEMBL1114328 0.87 HSD17B13 (0.49) MAOBTP53CHRM4LMNAMAPK1
SCHEMBL1114691 0.87 MAOB (0.47) MAOBLMNAMAPK1HDAC1HDAC8
SCHEMBL1114342 0.87 HDAC1 (0.40) TP53HDAC1HDAC8HDAC6
SCHEMBL1114271 0.86 HDAC1 (0.39) MAOBTP53HDAC1HDAC8HDAC6
SCHEMBL1114466 0.86 ALDH1A1 (0.46) MAOBTP53MAPK1
SCHEMBL1114541 0.85 CNR1 (0.42) MAOBTP53CHRM4LMNAHDAC1

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
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
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
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 MAOB 3971/4885TP53 721/4885PPARG 580/4885
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 MAOB 4459/4885TP53 1678/4885PPARG 1195/4885
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 MAOB 4459/4885TP53 1678/4885PPARG 1195/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MAOB 3971/4885TP53 721/4885PPARG 580/4885

“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.