SCHEMBL2806797

SCHEMBL2806797

COC(=O)c1cc(OC)c(C#N)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
KDM4E B2RXH2 5/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.42
IMPDH2 P12268 1/20 0.42
LRRK2 Q5S007 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
HTT P42858 1/20 0.40
STING1 Q86WV6 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
SCHEMBL2774399 0.94 GAA (0.44) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL4728790 0.88 GAA (0.48) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL2772814 0.86 SMN1; SMN2 (0.40) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL2773446 0.86 LCK (0.45) KDM4EALDH1A1HPGDIMPDH2LRRK2
SCHEMBL27427356 0.85 KDM4E (0.43) GAAKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL30988420 0.85 KDM4E (0.43) GAAKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL410466 0.85 GAA (0.48) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL534847 0.83 GAA (0.46) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL29046572 0.83 GAA (0.46) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL8902218 0.82 GAA (0.55) GAAKDM4EPOLBSMN1; SMN2ALDH1A1

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 3 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

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 GAA 3886/4885KDM4E 815/4885POLB 1303/4885

“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.