SCHEMBL319144

SCHEMBL319144

NC(=NO)c1ccc(CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
KDM1A O60341 2/20 0.44
NPC1 O15118 2/20 0.43
GFER P55789 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL774619 1.00 CA2 (0.46) CA2RAB9AGAAHDAC1HDAC2
SCHEMBL6651592 0.83 TAAR1 (0.50) RAB9AGAAHDAC1HDAC2KDM1A
SCHEMBL9968927 0.83 PRSS1 (0.56) CA2RAB9AGAAHDAC1HDAC2
SCHEMBL320862 0.83 PRSS1 (0.56) CA2RAB9AGAAHDAC1HDAC2
SCHEMBL320861 0.83 PRSS1 (0.56) CA2RAB9AGAAHDAC1HDAC2
SCHEMBL20448866 0.82 HDAC1 (0.43) RAB9AGAAHDAC1HDAC2KDM1A
SCHEMBL20448867 0.82 HDAC1 (0.43) RAB9AGAAHDAC1HDAC2KDM1A
SCHEMBL15186451 0.82 GAA (0.56) RAB9AGAAHDAC1HDAC2KDM1A
SCHEMBL21215222 0.79 KDM1A (0.60) RAB9AGAAHDAC1HDAC2KDM1A
SCHEMBL4253161 0.78 LOXL2 (0.56) RAB9AGAAKDM1ANPC1GFER

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11540518-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2023-01-03 US disclosed
US-20200138029-A1 FUNGICIDAL OXADIAZOLES FMC CORPORATION 2020-05-07 US disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
EP-2440554-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS Merck Serono S.A. (CH) 2012-04-18 EP disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 WO disclosed
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 WO disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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 (6 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 CA2 3172/4885RAB9A 2114/4885GAA 4078/4885
US-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 CA2 3237/4885RAB9A 826/4885GAA 4633/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 CA2 4607/4885RAB9A 3147/4885GAA 4760/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB CA2 3032/4885RAB9A 4195/4885GAA 3238/4885
US-20200138029-A1 FUNGICIDAL OXADIAZOLES NOX1, OXA1L, NOXO1 CA2 1153/4885RAB9A 2291/4885GAA 645/4885
US-11540518-B2 Fungicidal oxadiazoles NOX1, OXA1L, NOXO1 CA2 1153/4885RAB9A 2291/4885GAA 645/4885

“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.