SCHEMBL2773294

SCHEMBL2773294

COC(=O)c1ccc(-c2cccnc2OC)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
SLC2A1 P11166 1/20 0.49
HDAC6 Q9UBN7 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KCNA3 P22001 1/20 0.42
ABL1 P00519 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
DRD1 P21728 1/20 0.41
PDE2A O00408 1/20 0.41

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
SCHEMBL2772323 0.88 DHODH (0.46) HDAC6ALDH1A1L3MBTL1HDAC3HDAC1
SCHEMBL16502454 0.81 HTT (0.54) HTTALOX15HDAC6ALDH1A1HPGD
SCHEMBL16937873 0.81 TDP1 (0.57) HTTALOX15SLC2A1ALDH1A1HPGD
SCHEMBL410258 0.79 PDK2 (0.51) SLC2A1ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL11962294 0.78 NPC1 (0.48) ALDH1A1L3MBTL1KCNA3MAPTPDE10A
SCHEMBL14886606 0.78 ALOX15 (0.50) HTTALOX15SLC2A1MAPTSMN1; SMN2
SCHEMBL14950619 0.77 TDP1 (0.53) HTTALOX15SLC2A1ALDH1A1HPGD
SCHEMBL14950616 0.77 TDP1 (0.53) HTTALOX15SLC2A1ALDH1A1HPGD
SCHEMBL25309592 0.77 POLQ (0.50) HDAC6ABL1DRD1TDP1
SCHEMBL2772957 0.77 AKR1C3 (0.57) HTTSLC2A1ALDH1A1HPGDL3MBTL1

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 HTT 2363/4885ALOX15 1714/4885SLC2A1 4302/4885

“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.