SCHEMBL408726

SCHEMBL408726

NC(=NO)c1cccc(COCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MRGPRX4 Q96LA9 7/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PLA2G4B P0C869 1/20 0.41
F10 P00742 1/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL408725 1.00 KDM1A (0.43) KDM1AALDH1A1NPSR1MRGPRX4L3MBTL1
SCHEMBL2776081 0.86 L3MBTL1 (0.41) KDM1AL3MBTL1RAB9ATDP1
SCHEMBL13146420 0.86 KDM1A (0.42) KDM1AALDH1A1NPSR1MRGPRX4L3MBTL1
SCHEMBL2776077 0.86 L3MBTL1 (0.41) KDM1AL3MBTL1RAB9ATDP1
SCHEMBL3714654 0.82 HDAC1 (0.41) KDM1AALDH1A1RAB9ATP53
SCHEMBL3714657 0.82 HDAC1 (0.41) KDM1AALDH1A1RAB9ATP53
SCHEMBL10246744 0.82 SLC7A5 (0.42) KDM1AALDH1A1NPSR1MRGPRX4L3MBTL1
SCHEMBL405393 0.80 AKR1B1 (0.47) KDM1AL3MBTL1
SCHEMBL405392 0.80 AKR1B1 (0.47) KDM1AL3MBTL1
SCHEMBL2772408 0.79 KDM1A (0.46) KDM1AF10

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 6 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
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 KDM1A 1673/4885ALDH1A1 510/4885NPSR1 3160/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB KDM1A 1673/4885ALDH1A1 510/4885NPSR1 3160/4885

“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.