SCHEMBL2789593

SCHEMBL2789593

COc1ccc(F)cc1C(=N)NO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 2/20 0.42
NFE2L2 Q16236 1/20 0.41
PIN1 Q13526 4/20 0.40
PTPN7 P35236 2/20 0.40
DUSP3 P51452 2/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6326108 0.81 MAPT (0.53) RAB9ALMNAPTPN7DUSP3HTT
SCHEMBL19378588 0.79 LMNA (0.53) NPC1LMNAGAAHTTMAPT
SCHEMBL2775341 0.78 LMNA (0.51) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL19378463 0.77 HDAC4 (0.40) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL17063968 0.76 KAT6A (0.48) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL642419 0.76 CES2 (0.52) RAB9ANPC1GAANFE2L2MAPT
SCHEMBL16952707 0.76 PIN1 (0.44) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL4300383 0.75 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1LMNAPKM
Iodide SCHEMBL6757843 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL3459483 0.74 F2R (0.38) LMNAPKMHDAC6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
CN-104478821-B Oxadiazole diaryl compounds 默克雪兰诺有限公司 2016-09-28 CN disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
US-8404676-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS 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 (3 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 SMN1; SMN2 1889/4885RAB9A 2114/4885NPC1 4730/4885
US-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB SMN1; SMN2 1480/4885RAB9A 1744/4885NPC1 4703/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB SMN1; SMN2 1397/4885RAB9A 1833/4885NPC1 4599/4885

“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.