SCHEMBL42797

SCHEMBL42797

NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
TAAR1 Q96RJ0 2/20 0.47
MAOB P27338 2/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
CES2 O00748 1/20 0.41
LOX P28300 1/20 0.41
TACR1 P25103 3/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
DAO P14920 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
Hydrochloric Acid SCHEMBL2898331 0.97 IDO1 (0.59) IDO1TAAR1MAOBLOXL2BACE1
Methane SCHEMBL4031512 0.95 IDO1 (0.57) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL17048741 0.91 IDO1 (0.50) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL18266423 0.89 IDO1 (0.48) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL10200704 0.86 IDO1 (0.45) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL43211 0.86 IDO1 (0.45) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL12296155 0.86 IDO1 (0.45) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL29463268 0.86 IDO1 (0.45) IDO1TAAR1MAOBLOXL2BACE1
Ammonia Solution, Strong SCHEMBL5364863 0.84 IDO1 (0.44) IDO1TAAR1MAOBLOXL2BACE1
SCHEMBL14445400 0.84 IDO1 (0.44) IDO1TAAR1MAOBLOXL2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137308-A Ethylene propylene diene monomer rubber resistant to low temperature and ultralow compression set and preparation method thereof 余姚市振大塑胶有限公司 2025-06-13 CN claimed
CN-119403792-A NO-releasing coating W.L.戈尔及同仁股份有限公司 2025-02-07 CN claimed
US-20240270970-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2024-08-15 US claimed
CN-116217486-B Fluorescent compound and preparation method and application thereof 厦门大学 2024-05-14 CN claimed
CN-117866616-A Synthesis method of crown ether nested pyrenyl molecule 东南大学 2024-04-12 CN claimed
CN-114736323-B Method for applying self-repairing optical switch polymorphic fluorescent polymer to information encryption 湖南科技大学 2023-11-21 CN claimed
CN-116903544-A Preparation method of olanzapine and intermediate thereof 江苏丽源医药有限公司 2023-10-20 CN claimed
CN-116646593-A All-solid-state polymer electrolyte and preparation method and application thereof 上海交通大学绍兴新能源与分子工程研究院 2023-08-25 CN claimed
CN-116574058-A Lipid-droplet fluorescent probe and preparation method and application thereof 厦门大学 2023-08-11 CN claimed
US-20230183488-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US claimed
JP-2006521344-A 2006-09-21 JP claimed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US claimed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US claimed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US claimed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 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-20060122224-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 IDO1 1293/4885TAAR1 1109/4885MAOB 957/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 IDO1 2053/4885TAAR1 2978/4885MAOB 1397/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 IDO1 1293/4885TAAR1 1109/4885MAOB 957/4885

“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.