SCHEMBL7067774

SCHEMBL7067774

Cc1nn(-c2ccc(Cl)cc2)c(=O)n1C(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
OPRM1 P35372 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ROCK2 O75116 1/20 0.40
CA9 Q16790 1/20 0.39
GRM1 Q13255 1/20 0.39

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
SCHEMBL8660425 0.84 ROCK2 (0.47) PPOXADORA3ROCK2CA9
SCHEMBL8661584 0.80 PPOX (0.58) PPOXOPRM1
SCHEMBL29349639 0.80 PPOX (0.58) PPOXOPRM1
SCHEMBL6658377 0.79 PPOX (0.51) PPOX
SCHEMBL29576004 0.79 PPOX (0.51) PPOX
SCHEMBL30274423 0.76 PPOX (0.57) PPOXOPRM1
SCHEMBL9120418 0.76 PPOX (0.57) PPOXOPRM1
SCHEMBL10562068 0.75 ROCK2 (0.47) PPOXROCK2
SCHEMBL9427767 0.74 PPOX (0.44) PPOXKMT2AADORA3
SCHEMBL29575421 0.74 PPOX (0.44) PPOXKMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850195-A Synthetic method of sulfentrazone intermediate 宁夏格瑞精细化工有限公司 2023-03-28 CN disclosed
US-8669371-B2 Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones TAGROS CHEMICALS INDIA PVT LTD (IN) 2014-03-11 US disclosed
US-20130072689-A1 Regioselective chlorination of the phenyl ring of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-ones TAGROS CHEMICALS INDIA, LTD. (IN) 2013-03-21 US disclosed
EP-1115711-B1 REGIOSELECTIVE FLUORINATION OF PHENYL-SUBSTITUTED TRIAZOLINONES FMC CORP (US) 2003-06-04 EP disclosed
US-20020156321-A1 Continuous preparation of high purity Bis(fluoroxy)difluoromethane (BDM) at elevated pressure VERSUM MATERIALS US, LLC 2002-10-24 US disclosed
EP-1115711-A1 REGIOSELECTIVE FLUORINATION OF PHENYL-SUBSTITUTED TRIAZOLINONES FMC CORPORATION (US) 2001-07-18 EP disclosed
US-6218545-B1 Regioselective fluorination of phenyl-substituted triazolinones FMC CORPORATION 2001-04-17 US disclosed
WO-2000012490-A1 REGIOSELECTIVE FLUORINATION OF PHENYL-SUBSTITUTED TRIAZOLINONES FMC CORPORATION (US) 2000-03-09 WO disclosed
US-5468868-A Process for the selective chlorination of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-one FMC CORPORATION (US) 1995-11-21 US 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-20020156321-A1 Continuous preparation of high purity Bis(fluoroxy)difluoromethane (BDM) at elevated pressure FOS, PBRM1, NEFM PPOX 164/4885NPC1 1176/4885GAA 4462/4885

“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.