SCHEMBL2776208

SCHEMBL2776208

NC(=NO)c1cccc(C2OCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
KDM1A O60341 11/20 0.41
F10 P00742 1/20 0.36
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2789007 1.00 PARP1 (0.44) PARP1KDM1AF10RECQLMEN1
SCHEMBL5429553 0.83 PARP1 (0.39) PARP1KDM1AMEN1KMT2ALMNA
SCHEMBL6697278 0.80 PARP1 (0.68) PARP1KDM1ARECQLMAPT
SCHEMBL1334368 0.80 KMT2A (0.45) KDM1ARECQLMEN1MAPK1KMT2A
SCHEMBL1334373 0.80 KMT2A (0.45) KDM1ARECQLMEN1MAPK1KMT2A
SCHEMBL5423204 0.76 PARP1 (0.49) PARP1KDM1AMAPT
SCHEMBL24254414 0.75 KDM1A (0.37) KDM1ARECQLMEN1MAPK1KMT2A
SCHEMBL29399747 0.75 KDM1A (0.37) KDM1ARECQLMEN1MAPK1KMT2A
SCHEMBL2282510 0.75 KMO (0.56) PARP1MEN1KMT2ALMNAMAPT
SCHEMBL13901589 0.73 PARP1 (0.46) PARP1KDM1A

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-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 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

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 PARP1 1500/4885KDM1A 669/4885F10 3629/4885

“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.