SCHEMBL2789592

SCHEMBL2789592

COc1ccc(F)cc1C(N)=NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NFE2L2 Q16236 1/20 0.41
SLC9A1 P19634 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PIN1 Q13526 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
AR P10275 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 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
SCHEMBL2789590 1.00 GAA (0.54) GAARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL28104055 0.81 GAA (0.75) GAARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL6755594 0.80 ALDH1A1 (0.53) GAASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22044250 0.80 SMN1; SMN2 (0.44) GAASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL17695672 0.79 GAA (0.54) GAARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL29520009 0.79 MAPT (0.57) GAARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL19681391 0.79 MAPT (0.57) GAARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL17041328 0.79 MAPT (0.57) GAARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL29406733 0.79 PIN1 (0.50) GAASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1327202 0.79 PIN1 (0.50) GAASMN1; SMN2MEN1KMT2AMAPT

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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305104-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA 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 GAA 4078/4885RECQL 163/4885SMN1; SMN2 1889/4885
US-20100305104-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB GAA 4556/4885RECQL 87/4885SMN1; SMN2 1480/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB GAA 4505/4885RECQL 116/4885SMN1; SMN2 1397/4885

“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.