SCHEMBL13063400

SCHEMBL13063400

CN1CCN(c2cc(C(F)(F)F)ccn2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.56
ADRB1 P08588 1/20 0.50
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CXCR3 P49682 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL13018939 0.82 CYP17A1 (0.53) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL13063401 0.81 CYP17A1 (0.48) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL16647267 0.77 CYP17A1 (0.47) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL28384282 0.77 CYP17A1 (0.47) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL22572580 0.77 CYP17A1 (0.45) CYP17A1ADRB1NPSR1MAPTKDM4E
SCHEMBL21858471 0.77 ADRB1 (0.60) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL19520306 0.76 ADRB1 (0.46) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL20390816 0.75 ADRB1 (0.51) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL13063399 0.75 CYP17A1 (0.51) CYP17A1ADRB1NPSR1MAPTNOS3
SCHEMBL13018941 0.75 HRH3 (0.50) CYP17A1ADRB1NPSR1MAPTNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555563-B Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-11-15 CN disclosed
CN-118786116-A Herbicidal compounds 先正达农作物保护股份公司 2024-10-15 CN disclosed
CN-114144409-B Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-08-09 CN disclosed
CN-118108674-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-05-31 CN disclosed
CN-118084888-A Herbicidal compounds 先正达农作物保护股份公司 2024-05-28 CN disclosed
CN-118084802-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-05-28 CN disclosed
CN-118084803-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-05-28 CN disclosed
EP-4358718-A1 (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXY ALKYL ACIDS AND THEIR DERIVATIVES, THEIR SALTS AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2024-05-01 EP disclosed
CN-113874368-B Herbicidal compounds 先正达农作物保护股份公司 2024-03-08 CN disclosed
CN-117120437-A Herbicidal compounds 先正达农作物保护股份公司 2023-11-24 CN disclosed
CN-114144409-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2022-03-04 CN disclosed
CN-113874368-A Herbicidal compounds 先正达农作物保护股份公司 2021-12-31 CN disclosed
CN-113508112-A Herbicidal compounds 先正达农作物保护股份公司 2021-10-15 CN disclosed
CN-113498415-A Herbicidal compounds 先正达农作物保护股份公司 2021-10-12 CN disclosed
CN-113423694-A Cinnolinium compounds for use in a method for controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-21 CN disclosed
CN-113423271-A Pre-harvest drying method 先正达农作物保护股份公司 2021-09-21 CN disclosed
CN-111836806-A Herbicidal compounds 先正达参股股份有限公司 2020-10-27 CN disclosed
CN-111566094-A Herbicidal compounds 先正达参股股份有限公司 2020-08-21 CN disclosed
CN-111032640-A Herbicidal compounds 先正达参股股份有限公司 2020-04-17 CN disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CYP17A1 3706/4885ADRB1 291/4885NPSR1 320/4885

“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.