SCHEMBL1278451

SCHEMBL1278451

CCN(C)/C=N\c1cc(C)c(Oc2ccc(F)c(C(F)(F)F)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 1/20 0.40
AR P10275 14/20 0.34
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
SCN9A Q15858 1/20 0.31
RHEB Q15382 1/20 0.31
PLA2G7 Q13093 1/20 0.30

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
SCHEMBL4428667 1.00 HTR2A (0.40) HTR2ASLC6A4KCNH2ARBRAF
SCHEMBL29427853 1.00 HTR2A (0.40) HTR2ASLC6A4KCNH2ARBRAF
SCHEMBL119682 1.00 HTR2A (0.40) HTR2ASLC6A4KCNH2ARBRAF
SCHEMBL374922 0.95 HTR2A (0.37) HTR2ASLC6A4KCNH2AR
SCHEMBL12710235 0.92 HTR2A (0.32) HTR2ASLC6A4KCNH2
SCHEMBL12710204 0.91 RHEB (0.35) HTR2ASLC6A4KCNH2ARRHEB
SCHEMBL28347300 0.90 HTR2A (0.41) HTR2ASLC6A4KCNH2ARBRAF
SCHEMBL912518 0.90 HTR2A (0.37) HTR2ASLC6A4KCNH2ARSCN9A
SCHEMBL912517 0.90 HTR2A (0.37) HTR2ASLC6A4KCNH2ARSCN9A
SCHEMBL121354 0.88 SCN9A (0.38) HTR2ASLC6A4KCNH2ARBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396074-A Fungicidal compositions containing oxadiazole compounds PI工业有限公司 2024-01-12 CN claimed
EP-3057419-B1 AGRICULTURAL MIXTURES COMPRISING CARBOXAMIDE COMPOUND BASF AGROCHEMICAL PRODUCTS BV (NL) 2021-07-28 EP claimed
CN-111565571-A Synergistic pesticidal compositions and methods for delivery of active ingredients 0903608 B.C.有限公司 2020-08-21 CN claimed
CN-111565572-A Synergistic pesticidal compositions and methods for delivering active ingredients 0903608 B.C.有限公司 2020-08-21 CN claimed
EP-3383183-B1 COMPOSITIONS CONTAINING CIS-JASMONE AND BACILLUS AMYLOLIQUEFACIENS BASF SE (DE) 2020-05-27 EP claimed
EP-2793579-B3 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI RESISTANT TO QO INHIBITORS BASF SE (DE) 2018-02-14 EP claimed
EP-2418944-B1 METHOD FOR COMBATING HARMFUL FUNGI BASF SE (DE) 2017-07-26 EP claimed
EP-2744792-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKYNYLOXY-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2016-10-12 EP claimed
EP-2815650-B1 Fungicidal mixtures II comprising strobilurin-type fungicides BASF SE (DE) 2016-08-17 EP claimed
EP-2793579-B1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI RESISTANT TO QO INHIBITORS BASF SE (DE) 2016-06-08 EP claimed
EP-2731935-B1 FUNGICIDAL SUBSTITUTED 2-[2-HALOGENALKYL-4-(PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF AGRO BV (NL) 2016-03-09 EP claimed
EP-2744794-B1 FUNGICIDAL SUBSTITUTED 1-{2-CYCLYLOXY-2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2015-12-30 EP claimed
EP-2744795-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-2-CYCLYL-ETHYL}-1H [1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2015-12-30 EP claimed
EP-2744791-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-3-METHYL-BUTYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2015-10-28 EP claimed
EP-2744793-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ETHOXY-ETHYL}-1H- [1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2015-10-14 EP claimed
EP-2731438-B1 FUNGICIDAL ALKYL-SUBSTITUTED 2-[2-CHLORO-4-(4-CHLORO-PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2015-04-08 EP claimed
US-20120088661-A1 FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-12 US claimed
US-20120088665-A1 FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-12 US claimed
US-20120088662-A1 FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-12 US claimed
WO-2011110583-A2 FUNGICIDAL MIXTURES COMPRISING TRIAZOLE DERIVATIVES BASF SE (DE) 2011-09-15 WO claimed

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-20120088661-A1 FUNGICIDAL MIXTURES CYP51A1, CYP1A2, MSMO1 HTR2A 3392/4885SLC6A4 4523/4885KCNH2 854/4885
US-20120088662-A1 FUNGICIDAL MIXTURES CYP51A1, CYP1A2, PFAS HTR2A 3779/4885SLC6A4 4543/4885KCNH2 513/4885
US-20120088665-A1 FUNGICIDAL MIXTURES AS3MT, DPM1, SQOR HTR2A 4388/4885SLC6A4 3298/4885KCNH2 1306/4885

“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.