SCHEMBL1114473

SCHEMBL1114473

O=C(NCc1ccc(-c2ccccc2)cc1)c1nc(-c2cc(Cl)c(O)c(Cl)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
MME P08473 1/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC4 P56524 2/20 0.47
SMPD1 P17405 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
EGFR P00533 1/20 0.46
HDAC1 Q13547 2/20 0.45
PKM P14618 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL3240042 0.92 SMN1; SMN2 (0.51) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114527 0.90 KMT2A (0.53) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114330 0.90 KMT2A (0.51) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114835 0.87 SMPD1 (0.58) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114747 0.85 HDAC4 (0.53) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114429 0.85 KDM4E (0.56) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114439 0.84 KMT2A (0.53) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114269 0.84 KMT2A (0.53) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL1114791 0.84 KMT2A (0.49) KMT2AMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL31591609 0.83 KMT2A (0.49) KMT2AMAPTKDM4EPOLBSMN1; SMN2

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 KMT2A 4715/4885MAPT 4877/4885KDM4E 4565/4885
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 KMT2A 4813/4885MAPT 4856/4885KDM4E 4474/4885
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 KMT2A 4813/4885MAPT 4856/4885KDM4E 4474/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 KMT2A 4715/4885MAPT 4877/4885KDM4E 4565/4885

“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.