SCHEMBL406494

SCHEMBL406494

CCOC(=O)CCNC(=O)c1ccc(C#N)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAP2K1 Q02750 2/20 0.43
TNF P01375 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR27 Q9NS67 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL12326625 0.89 CYP1A2 (0.47) GAANPSR1KMT2AMEN1MAP2K1
SCHEMBL8303701 0.81 GAA (0.48) GAANPSR1KMT2AMEN1MAP2K1
SCHEMBL12670867 0.81 KMT2A (0.52) GAAKMT2AMEN1MAP2K1TP53
SCHEMBL3929566 0.80 MAPT (0.55) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4178450 0.79 CA12 (0.47) GAANPSR1KMT2AMEN1MAP2K1
SCHEMBL19133478 0.79 MEN1 (0.48) GAAKMT2AMEN1MAP2K1TP53
SCHEMBL17623590 0.77 KDM1A (0.49) GAAKMT2AMEN1MAP2K1TP53
SCHEMBL8410208 0.77 MAPT (0.52) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL407156 0.76 MAPT (0.40) KMT2AMEN1MAPTSMN1; SMN2CYP1A2
SCHEMBL10283785 0.76 MAPT (0.40) KMT2AMEN1MAPTSMN1; SMN2CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO 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 (1 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB GAA 3238/4885NPSR1 3160/4885KMT2A 3914/4885

“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.