SCHEMBL106741

SCHEMBL106741

NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.54
MAOB P27338 6/20 0.50
ST14 Q9Y5Y6 1/20 0.50
AOC3 Q16853 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
GRIN2B Q13224 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
SLC6A4 P31645 1/20 0.45
KIF11 P52732 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
EPHX1 P07099 1/20 0.44

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
Hydrochloric Acid SCHEMBL13268897 0.98 MAOB (0.53) HTR2CMAOBST14AOC3ALDH1A1
Bromide SCHEMBL29203657 0.98 HTR2C (0.52) HTR2CMAOBST14AOC3ALDH1A1
Iodide SCHEMBL29203661 0.98 HTR2C (0.52) HTR2CMAOBST14AOC3ALDH1A1
SCHEMBL2092334 0.94 HRH3 (0.56) HTR2CMAOBST14AOC3ALDH1A1
SCHEMBL922517 0.94 ST14 (0.61) HTR2CMAOBST14AOC3ALDH1A1
Hydrochloric Acid SCHEMBL2803821 0.92 HRH3 (0.54) HTR2CMAOBST14AOC3ALDH1A1
Hydrochloric Acid SCHEMBL921635 0.92 ST14 (0.59) HTR2CMAOBST14AOC3ALDH1A1
SCHEMBL17878026 0.84 ALDH1A1 (0.48) HTR2CMAOBALDH1A1TSHRSLC6A4
SCHEMBL16089347 0.83 MAOB (0.47) HTR2CMAOBST14LOXL2HRH3
SCHEMBL2095922 0.83 MAOB (0.47) HTR2CMAOBST14LOXL2HRH3

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 1206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118901-A Oxindole derivative, preparation method thereof and application thereof in TRPA1 inhibitor direction 中国人民解放军北部战区总医院 2024-12-13 CN claimed
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN claimed
CN-118184878-A Polyacrylamide for improving recovery ratio as well as preparation method and application thereof 东营市盛聚化工有限责任公司 2024-06-14 CN claimed
CN-117384423-B Novel fluoroelastomer processing aid and preparation process 稷昶新材料科技(上海)有限公司 2024-04-16 CN claimed
CN-117384423-A Novel fluoroelastomer processing aid and preparation process 稷昶新材料科技(上海)有限公司 2024-01-12 CN claimed
CN-112286016-B Single-layer electropositive organic photosensitive drum and preparation method thereof 广东乐普泰新材料科技有限公司 2023-08-25 CN claimed
CN-113185504-B Furan-linked 1,3, 4-oxadiazole formamide compounds and preparation method and application thereof 南京林业大学 2022-01-07 CN claimed
CN-113214236-B Preparation method of thiophene bi-1, 3, 4-oxadiazole formamide compounds, products and application thereof 南京林业大学 2022-01-04 CN claimed
CN-113512029-A Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2021-10-19 CN claimed
CN-112625039-A Pyrroloquinoline compound and synthesis method thereof 湘潭大学 2021-04-09 CN claimed
WO-2010084514-A2 A PROCESS FOR THE PREPARATION OF (5S)-(N)-[[3-[3-FLUORO-4-(4-MORPHOLINYL) PHENYL]-2-OXO-5-OXAZOLIDINYL] METHYL] ACETAMIDE NEULAND LABORATORIES LTD. (IN) 2010-07-29 WO claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-7553911-B2 Coated polydivinylbenzene beads JORDI FLP (US) 2009-06-30 US claimed
US-20080255269-A1 Polystyrene divinylbenzene copolymer having a fluorinated, amidated surface; high performance liquid chromatography tationary phase JORDI HOWARD C 2008-10-16 US claimed
CN-101228139-A Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2008-07-23 CN claimed
JP-2008521903-A 2008-06-26 JP claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
US-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US 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 (2 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-20070066682-A1 Arylalkylamine vanadium (V) salts for the treatment and/or prevention of Diabetes mellitus GPR119, ABCC1, INSR HTR2C 1258/4885MAOB 490/4885ST14 4314/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K HTR2C 3698/4885MAOB 323/4885ST14 266/4885

“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.