SCHEMBL2774797

SCHEMBL2774797

O=C(O)c1ccc([N+](=O)[O-])c(N2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
MAPT P10636 6/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
POLB P06746 5/20 0.60
GAA P10253 3/20 0.60
PKM P14618 2/20 0.60
LMNA P02545 2/20 0.60
NPSR1 Q6W5P4 2/20 0.57
CASP6 P55212 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL2775026 0.88 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1POLBGAA
SCHEMBL29805521 0.88 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1POLBGAA
SCHEMBL2773181 0.88 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1POLBGAA
SCHEMBL2773960 0.87 ALDH1A1 (0.74) ALDH1A1MAPTL3MBTL1POLBGAA
SCHEMBL31380218 0.87 ALDH1A1 (0.74) ALDH1A1MAPTL3MBTL1POLBGAA
SCHEMBL17287401 0.86 ALDH1A1 (0.60) ALDH1A1MAPTCYP1A2CYP2C19GAA
SCHEMBL18113478 0.86 MAPT (0.61) ALDH1A1MAPTPOLBGAAPKM
SCHEMBL29994344 0.86 ALDH1A1 (0.60) ALDH1A1MAPTCYP1A2CYP2C19GAA
SCHEMBL26482569 0.85 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL3796832 0.85 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
CN-101970420-B Oxadiazole derivatives MERCK SERONO SA 2014-09-24 CN disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 ALDH1A1 516/4885MAPT 3455/4885L3MBTL1 3352/4885

“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.