SCHEMBL2772292

SCHEMBL2772292

COCCOCc1cccc(C(=N)NO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
F10 P00742 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MRGPRX4 Q96LA9 4/20 0.36
F2 P00734 3/20 0.36
SMPD1 P17405 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
RXFP1 Q9HBX9 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
SCHEMBL2772410 0.85 F10 (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL4751187 0.78 SMPD1 (0.44) F10F2SMPD1
SCHEMBL28277763 0.78 MRGPRX4 (0.58) RAB9ASMN1; SMN2ALDH1A1TP53MRGPRX4
SCHEMBL2775292 0.77 HDAC6 (0.48) SMN1; SMN2
SCHEMBL45113 0.77 MRGPRX4 (0.57) RAB9ASMN1; SMN2ALDH1A1TP53MRGPRX4
SCHEMBL27109288 0.77 RAB9A (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL21169513 0.75 LOXL2 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5956199 0.75 KAT6A (0.42) LOXL2CYP4F2CYP4A11
SCHEMBL2772289 0.74 KDM1A (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL9968928 0.74 KDM1A (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1TP53

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 RAB9A 2090/4885SMN1; SMN2 1346/4885NPC1 4814/4885

“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.