SCHEMBL5583448

SCHEMBL5583448

N#CCCCOC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL28866422 0.84
SCHEMBL17295373 0.74
SCHEMBL1608194 0.74
SCHEMBL11771559 0.69 TSHR (0.45) TSHRALDH1A1TDP1
SCHEMBL12127618 0.69 TSHR (0.31) TSHR
SCHEMBL1717819 0.67
SCHEMBL22227387 0.67 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL1727035 0.67 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL6561986 0.67
SCHEMBL3307958 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
CN-113024530-B Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN disclosed
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2021-08-12 US disclosed
EP-1780202-B1 QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT MEIJI SEIKA PHARMA CO LTD (JP) 2013-02-27 EP disclosed
EP-1780202-A1 QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT MEIJI SEIKA KAISHA LTD. (JP) 2007-05-02 EP 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 (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-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR APLNR, AGTR1, AGTR2 TSHR 441/4885ALDH1A1 1619/4885TDP1 2917/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 TSHR 441/4885ALDH1A1 1619/4885TDP1 2917/4885

“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.