SCHEMBL9968901

SCHEMBL9968901

COC(=O)c1cc(/C(N)=N/O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
RECQL P46063 1/20 0.54
XDH P47989 1/20 0.49
PTGS2 P35354 2/20 0.47
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL2803618 1.00 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2803617 1.00 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL20184057 0.84 KMT2A (0.48) RECQLHPGDHSD17B10LMNAKDM4E
SCHEMBL20184054 0.84 KMT2A (0.48) RECQLHPGDHSD17B10LMNAKDM4E
SCHEMBL4424415 0.83 CA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2772953 0.83 SMN1; SMN2 (0.47) RECQLHPGDHSD17B10TSHRLMNA
SCHEMBL9968900 0.83 RECQL (0.45) RECQLHPGDHSD17B10TSHRKDM4E
SCHEMBL2772950 0.83 SMN1; SMN2 (0.47) RECQLHPGDHSD17B10TSHRLMNA
SCHEMBL20963465 0.83 RECQL (0.60) RECQLHPGDTSHRLMNAKDM4E
SCHEMBL2777532 0.83 RECQL (0.45) RECQLHPGDHSD17B10TSHRKDM4E

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 CA12 3369/4885CA1 2829/4885CA2 2987/4885

“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.