SCHEMBL9968929

SCHEMBL9968929

N/C(=N/O)c1cccc(COCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.46
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
GRIN2B Q13224 1/20 0.38
F2 P00734 4/20 0.38
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL2772408 1.00 KDM1A (0.46) KDM1AF10PRSS1PRSS2PRSS3
SCHEMBL2772407 1.00 KDM1A (0.46) KDM1AF10PRSS1PRSS2PRSS3
SCHEMBL2772289 0.85 KDM1A (0.43) KDM1AF10GRIN2BF2
SCHEMBL9968928 0.85 KDM1A (0.43) KDM1AF10GRIN2BF2
SCHEMBL2772286 0.85 KDM1A (0.43) KDM1AF10GRIN2BF2
SCHEMBL13146420 0.83 KDM1A (0.42) KDM1AF10
SCHEMBL20597674 0.81 RAB9A (0.46) KDM1APRSS1PRSS2PRSS3F2
SCHEMBL20597673 0.81 RAB9A (0.46) KDM1APRSS1PRSS2PRSS3F2
SCHEMBL408725 0.79 KDM1A (0.43) KDM1AF10
SCHEMBL408726 0.79 KDM1A (0.43) 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-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-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
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US 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 KDM1A 669/4885F10 3629/4885PRSS1 4819/4885

“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.