SCHEMBL2772289

SCHEMBL2772289

COCCOCc1cccc(C(N)=NO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
RECQL P46063 1/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
F10 P00742 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
GRIN2B Q13224 1/20 0.36
F2 P00734 2/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL9968928 1.00 KDM1A (0.43) KDM1ARECQLRAB9ASMN1; SMN2NPC1
SCHEMBL2772286 1.00 KDM1A (0.43) KDM1ARECQLRAB9ASMN1; SMN2NPC1
SCHEMBL2772408 0.85 KDM1A (0.46) KDM1AF10GRIN2BF2
SCHEMBL2772407 0.85 KDM1A (0.46) KDM1AF10GRIN2BF2
SCHEMBL9968929 0.85 KDM1A (0.46) KDM1AF10GRIN2BF2
SCHEMBL27109288 0.82 RAB9A (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL13146420 0.81 KDM1A (0.42) KDM1ARAB9AALDH1A1MRGPRX4F10
SCHEMBL14044968 0.78 GAA (0.44) KDM1ARECQLRAB9ANPC1LMNA
SCHEMBL28277763 0.78 MRGPRX4 (0.58) RAB9ASMN1; SMN2ALDH1A1MRGPRX4TP53
SCHEMBL406657 0.77 SLC7A5 (0.40) KDM1ARAB9ASMN1; SMN2NPC1ALDH1A1

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 KDM1A 669/4885RECQL 4/4885RAB9A 2090/4885

“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.