SCHEMBL1114366

SCHEMBL1114366

C=CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1nc(-c2cc(Br)c(O)c(Br)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC6 Q9UBN7 13/20 0.39
HDAC1 Q13547 12/20 0.39
HDAC5 Q9UQL6 4/20 0.39
HDAC8 Q9BY41 9/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
SLC2A1 P11166 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1114305 0.92 HDAC6 (0.42) HDAC6HDAC1HDAC5HDAC8HDAC3
SCHEMBL1114320 0.89 HDAC1 (0.43) KMT2AHDAC6HDAC1HDAC5HDAC8
SCHEMBL13447656 0.87 KMT2A (0.44) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL1114263 0.87 HDAC6 (0.47) MEN1KMT2AHDAC6HDAC1HDAC5
SCHEMBL1114312 0.85 HDAC1 (0.41) MEN1KMT2AHDAC6HDAC1HDAC5
SCHEMBL1114301 0.85 SMN1; SMN2 (0.49) HDAC6HDAC1HDAC5HDAC8SMN1; SMN2
SCHEMBL1114600 0.81 CASP3 (0.44) HDAC6HDAC1HDAC5HDAC8HDAC3
SCHEMBL3242530 0.79 SMN1; SMN2 (0.57) MEN1KMT2AHDAC6HDAC1HDAC3
SCHEMBL8390987 0.78 HDAC1 (0.43) KMT2AHDAC6HDAC1HDAC5HDAC8
SCHEMBL13447649 0.78 TSHR (0.43) MEN1KMT2ASMN1; SMN2MAPTRAB9A

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 24 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
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-8207205-B2 Compounds, compositions and methods comprising oxadiazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2012-06-26 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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 MEN1 2895/4885KMT2A 4715/4885HDAC6 829/4885
US-20090264441-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 MEN1 3570/4885KMT2A 4813/4885HDAC6 636/4885
US-20120264717-A1 Compounds, Compositions and Methods Comprising Oxadiazole Derivatives CFTR, PKD1, PKD2 MEN1 3570/4885KMT2A 4813/4885HDAC6 636/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MEN1 2895/4885KMT2A 4715/4885HDAC6 829/4885

“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.