SCHEMBL1114188

SCHEMBL1114188

O=C(NCc1cc(C(F)(F)F)ccc1F)c1noc(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 14/20 0.42
DDR1 Q08345 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
SRPK1 Q96SB4 2/20 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
SCHEMBL1114541 0.88 CNR1 (0.42) MAPTTP53
SCHEMBL1114757 0.86 SMN1; SMN2 (0.47) MAPT
SCHEMBL1114674 0.83 MEN1 (0.52)
SCHEMBL3247134 0.83 P2RX7 (0.41) TP53
SCHEMBL1114338 0.83 SMN1; SMN2 (0.53) RIPK1DDR1MAPTTP53
SCHEMBL1114354 0.82 HSD17B13 (0.52) MAPT
SCHEMBL1114355 0.82 HSD17B13 (0.50) TP53
SCHEMBL1114523 0.82 MAOB (0.46) TP53
SCHEMBL1114377 0.81 MAOB (0.48) MAPT
SCHEMBL1114239 0.80 KMT2A (0.44) MAPT

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 RIPK1 3647/4885DDR1 295/4885MAPT 4877/4885
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 RIPK1 3013/4885DDR1 76/4885MAPT 4856/4885
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 RIPK1 3013/4885DDR1 76/4885MAPT 4856/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 RIPK1 3647/4885DDR1 295/4885MAPT 4877/4885

“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.