SCHEMBL3748043

SCHEMBL3748043

C=Cc1cc(F)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
S1PR3 Q99500 1/20 0.36
AR P10275 2/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
NFE2L2 Q16236 2/20 0.33
P4HB P07237 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL28163323 0.84 HTR2A (0.39) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL16962133 0.80 FFAR4 (0.38) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL1956935 0.80 KDM4E (0.39) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL29954838 0.80 KDM4E (0.39) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL16960777 0.78 IMPDH2 (0.37) TRPV4CYP11B2CYP11B1ARALDH1A1
SCHEMBL23465259 0.76 KDM4E (0.47) TRPV4CYP11B2CYP11B1ARCYP1A2
SCHEMBL16956740 0.76 VCAM1 (0.44) TRPV4MAOAMAOBS1PR3AR
SCHEMBL13964708 0.76 AR (0.39) ARFFAR1CYP1A2NPSR1KDM4E
SCHEMBL16961223 0.76 MAOB (0.42) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL6561365 0.76 ESR2 (0.39) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1931660-B1 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-1931660-B1 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-08-01 EP disclosed
US-7834030-B2 Phenyl-[1,2,4]-oxadiazol-5-one derivatives, pharmaceutical compositions and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
US-7834030-B2 Phenyl-[1,2,4]-oxadiazol-5-one derivatives, pharmaceutical compositions and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
US-7834030-B2 Phenyl-[1,2,4]-oxadiazol-5-one derivatives, pharmaceutical compositions and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
WO-2009114470-A2 TETRAHYDROINDOLE AND TETRAHDYROINDAZOLE AS HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-09-17 WO disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
CN-101273036-A Phenyl-[1,2,4]-oxadiazol-5-one derivatives with phenyl group, processes for their preparation and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-09-24 CN disclosed
EP-1931660-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof GPR119, CPT1A, PC TRPV4 3012/4885MAOA 1378/4885MAOB 585/4885

“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.