SCHEMBL2774550

SCHEMBL2774550

NC(=NO)c1cccc(CN(CCO)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP3A4 P08684 1/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL2810622 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL2774547 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL2775497 0.85 HDAC1 (0.45) HDAC1HDAC6PPARGL3MBTL1KMT2A
SCHEMBL2803642 0.85 HDAC1 (0.45) HDAC1HDAC6PPARGL3MBTL1KMT2A
SCHEMBL2775495 0.85 HDAC1 (0.45) HDAC1HDAC6PPARGL3MBTL1KMT2A
SCHEMBL20597844 0.85 HDAC1 (0.45) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL20597846 0.85 HDAC1 (0.45) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL9968922 0.82 HDAC1 (0.42) HDAC3HDAC1HDAC2CYP3A4L3MBTL1
SCHEMBL409609 0.82 TSHR (0.44) GRIN2BPARP1KMT2AF2PRSS1
SCHEMBL409610 0.82 TSHR (0.44) GRIN2BPARP1KMT2AF2PRSS1

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 HDAC3 536/4885HDAC1 233/4885HDAC7 785/4885

“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.