SCHEMBL409427

SCHEMBL409427

N=C(NO)c1ccc(OCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
GAA P10253 1/20 0.50
PRSS1 P07477 7/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
TMPRSS2 O15393 2/20 0.47
PRMT1 Q99873 3/20 0.46
F2 P00734 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
PLAU P00749 1/20 0.46
PRMT5 O14744 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
PTP4A3 O75365 1/20 0.46
SLC22A3 O75751 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
S100B P04271 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46

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
SCHEMBL549185 0.89 TMPRSS2 (0.60) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL548439 0.89 PRSS1 (0.60) GAAPRSS1TMPRSS2PRMT1F2
Pentamidine Dao SCHEMBL548448 0.87 PRMT1 (0.61) GAAPRSS1TMPRSS2PRMT1F2
SCHEMBL6407420 0.84 MMP1 (0.56) GAAPRSS1TMPRSS2CYP2D6SMN1; SMN2
SCHEMBL20332718 0.84 TMPRSS2 (0.55) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL3275310 0.84 PLK1 (0.56) PRSS1TMPRSS2CYP2D6MAPTSMN1; SMN2
SCHEMBL15142434 0.82 PRSS1 (0.55) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL23588050 0.81 TMPRSS2 (0.51) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL8718224 0.81 TP53 (0.57) GAAPRSS1MAPT
SCHEMBL15020066 0.80 TP53 (0.59) GAATMPRSS2PRMT1F2ST14

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 7 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
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 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 (2 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 NR1I2 55/4885GAA 3238/4885PRSS1 4700/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB NR1I2 55/4885GAA 3238/4885PRSS1 4700/4885

“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.